(8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one
C24H34O3
Consulting for (8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one
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Identification
- CAS Number
- 13258-43-0
- EC Number
- 421-050-3
- UN Number
- 3077
- Index Number
- 606-071-00-X
- PubChem CID
- 165342694
Physical-chemical properties
- Molecular Formula
- C24H34O3
- Molar Mass
- 370.50 g/mol
- IUPAC Name
- (8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one
Chemical Identifiers
- InChI
- InChI=1S/C24H34O3/c1-21(2)14-26-24(27-15-21)12-9-20-18-6-5-16-13-17(25)7-10-22(16,3)19(18)8-11-23(20,24)4/h7,10,13,18-20H,5-6,8-9,11-12,14-15H2,1-4H3/t18-,19+,20+,22+,23+/m1/s1
- InChI Key
- XEXIBPGOXTXPGY-ZVLHEHLASA-N
Overview
(8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one (CAS 13258-43-0) is a complex spiro-cyclic steroid derivative with protected ketone functionality and specific stereochemical configuration. This sophisticated organic compound represents a unique class of steroid-based molecules featuring a spiro junction between a cyclopentaphenanthrene backbone and a 1,3-dioxane protecting group. With a molecular formula of C24H34O3 and molecular weight of 370.5 g/mol, this substance exhibits the characteristic structural complexity of modified steroid frameworks commonly employed in pharmaceutical intermediates and specialty chemical applications. The compound's primary safety considerations center on its environmental impact, classified under GHS09 with Aquatic Acute 1 and Aquatic Chronic 1 hazard categories, indicating significant toxicity to aquatic organisms. The Warning signal word and Class 9 ADR classification reflect its status as a miscellaneous dangerous substance requiring careful handling protocols during transport and storage. Key applications include serving as a synthetic intermediate in pharmaceutical manufacturing, particularly in steroid hormone synthesis pathways, and as a specialty reagent in organic synthesis research. The protected ketone functionality makes it valuable for multi-step synthetic sequences where selective deprotection is required. Unlike simpler compounds such as copper(1+) thiocyanate, this molecule's complex stereochemistry enables highly specific biochemical interactions. Industrial uses extend to fine chemical manufacturing and custom synthesis projects requiring precise stereochemical control. The spiro-dioxane structure provides unique reactivity patterns distinct from conventional steroid derivatives, making it particularly valuable in medicinal chemistry applications. OYSI maintains reliable supply chains for this specialized chemical intermediate, supporting European pharmaceutical and research industries with consistent quality and regulatory compliance.
Safety & Classification
Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 17-Spiro(5,5-dimethyl-1,3-dioxan-2-yl)androsta-1,4-dien-3-on |
| Marine Pollutant | No |
Frequently Asked Questions
What is (8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one?
(8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one is a complex organic compound with CAS number 13258-43-0 and molecular formula C24H34O3. This steroid-derived spiro compound has a molecular weight of 370.5 g/mol and features multiple chiral centers with specific stereochemistry. The molecule contains a spiro junction between a dioxane ring and a cyclopentaphenanthrene system, making it structurally unique for specialized chemical applications.
What are the physicochemical properties of (8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one?
This compound exhibits typical properties of a medium-sized organic molecule with a molecular weight of 370.5 g/mol and formula C24H34O3. The presence of the dioxane ring and ketone functionality influences its polarity and solubility characteristics. The complex steroid-like structure with multiple ring systems suggests limited water solubility but good solubility in organic solvents. The compound's physical state, appearance, and specific solubility parameters depend on temperature and environmental conditions.
What is (8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one used for?
This compound is primarily used as a specialized chemical intermediate in pharmaceutical research and organic synthesis applications. Its unique spiro structure and steroid-like backbone make it valuable for developing complex molecular architectures. The compound serves as a building block in medicinal chemistry, potentially for hormone-related research or as a precursor for bioactive molecules. Its specific stereochemistry makes it particularly useful in asymmetric synthesis and chiral chemistry applications.
How should (8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one be handled safely?
Safe handling requires standard laboratory protective equipment including safety glasses, chemical-resistant gloves, and lab coats. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. The compound's Aquatic Acute 1 classification indicates environmental hazards, so prevent release to waterways. Avoid direct skin and eye contact, and ensure proper hand hygiene after handling. Use appropriate containment measures and have spill cleanup materials readily available during use.
How should (8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one be stored correctly?
Proper storage requires keeping the compound in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Store at controlled room temperature unless specific temperature requirements apply. Ensure containers are properly labeled with hazard information and keep away from heat sources and direct sunlight. Due to its aquatic toxicity classification, storage areas should have appropriate containment measures to prevent environmental release in case of accidental spills or container failure.
What should be done in case of contact with (8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one?
Immediate first aid measures include removing contaminated clothing and rinsing affected skin thoroughly with water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes while holding eyelids open. If inhaled, move the person to fresh air and seek medical attention if breathing difficulties occur. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid instructions and contact poison control if necessary.
How should (8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one be disposed of properly?
Proper disposal must follow local, regional, and national waste disposal regulations due to the compound's aquatic toxicity classification. The material should be collected as hazardous chemical waste and disposed of through licensed waste disposal contractors. Never discharge to sewers, waterways, or soil due to its Aquatic Acute 1 and Chronic 1 hazard classifications. Contaminated containers and materials should also be treated as hazardous waste and disposed of according to applicable environmental regulations.
How should (8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one be transported?
Transportation follows ADR Class 9 (Miscellaneous dangerous substances) regulations with Packing Group III classification, indicating moderate danger level. Packages must be properly labeled with GHS09 environmental hazard pictograms and 'Warning' signal word. Shipping documentation should include the correct shipping name, UN number, and hazard class. Use appropriate packaging that meets UN specification requirements for Class 9 materials. Ensure compliance with transport regulations for environmentally hazardous substances during shipping.
Is (8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one subject to specific regulations?
The compound is subject to standard chemical regulations including REACH registration requirements for manufacture or import in the European Union. It must be classified and labeled according to CLP regulation with GHS09 pictogram and 'Warning' signal word due to its aquatic toxicity. While not currently listed as an SVHC (Substance of Very High Concern), users must comply with environmental protection measures due to its Aquatic Acute 1 and Chronic 1 classifications under applicable chemical safety legislation.
Where can (8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one be purchased in Europe?
This specialized compound is available through OYSI, a European chemical distributor offering comprehensive chemical supply services across Europe. OYSI provides access to high-quality specialty chemicals with proper documentation including safety data sheets and certificates of analysis. As an established European distributor, OYSI ensures compliance with regional regulations and provides technical support for specialized chemical requirements. Contact OYSI directly for availability, specifications, and ordering information for this complex organic compound.
Services for (8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one
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SDS Service
Request Safety Data Sheet for (8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one
Technical Consulting
Application advice for (8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one
REACH Safety Data Sheet
REACH Compliance Service
Digital Product Passport
EU-compliant product documentation
ADR Consulting for (8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one
(8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.