(8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
C20H26O3
Consulting for (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
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Identification
- CAS Number
- 5571-36-8
- EC Number
- 427-230-8
- UN Number
- 3077
- Index Number
- 606-131-00-5
- PubChem CID
- 7076399
Physical-chemical properties
- Molecular Formula
- C20H26O3
- Molar Mass
- 314.40 g/mol
- IUPAC Name
- (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
Chemical Identifiers
- InChI
- InChI=1S/C20H26O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-17H,2-5,7-12H2,1H3/t16-,17+,19+/m1/s1
- InChI Key
- XUOQKQRMICQUQC-AOIWGVFYSA-N
Overview
(8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one (CAS 5571-36-8) is a complex steroid derivative with protective dioxolane functionality for synthetic applications. This specialized organic compound represents a sophisticated example of steroid chemistry, featuring a unique spiro-fused dioxolane ring system attached to a decahydrocyclopenta[a]phenanthrene backbone. With the molecular formula C20H26O3 and a molecular weight of 314.4 g/mol, this substance exhibits the structural complexity typical of advanced pharmaceutical intermediates and research compounds. The stereochemical configuration, specifically defined at the 8S, 13S, and 14S positions, is crucial for its biological activity and synthetic utility. From a safety perspective, this compound requires careful handling due to its classification as Repr. 1B (reproductive toxicity category 1B), STOT RE 2 (specific target organ toxicity following repeated exposure), and Aquatic Chronic 2 (chronic aquatic toxicity). The GHS08 and GHS09 pictograms indicate health hazards and environmental concerns respectively, warranting appropriate protective measures during storage, handling, and disposal. As a Class 9 ADR substance, it falls under miscellaneous dangerous goods for transportation purposes. Industrial applications primarily center around pharmaceutical research and development, particularly in steroid hormone synthesis where the dioxolane protecting group allows for selective chemical transformations. The compound also finds use in advanced organic synthesis as a building block for complex natural product analogs. Unlike structurally unrelated compounds such as 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline used in different synthetic pathways, this steroid derivative offers unique reactivity patterns essential for specialized applications. OYSI maintains reliable supply chains for this technical-grade compound, supporting European research institutions and pharmaceutical development programs with consistent quality and regulatory compliance.
Safety & Classification
Repr. 1B; STOT RE 2 *; Aquatic Chronic 2
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 | Cyclisches 3-(1,2-Ethandiylacetale)-estra-5(10),9(11)-dien-3,17-dion |
| Marine Pollutant | No |
Frequently Asked Questions
What is (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one?
(8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one is a synthetic steroid derivative with molecular formula C20H26O3 and molecular weight 314.4 g/mol. This compound features a complex spiro structure combining a cyclopenta[a]phenanthrene backbone with a dioxolane ring system. It is classified as a reproductive toxicant category 1B and poses environmental hazards, requiring careful handling in professional applications.
What are the physicochemical properties of (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one?
This steroid compound exhibits typical properties of organic molecules with its molecular weight of 314.4 g/mol and empirical formula C20H26O3. The presence of the dioxolane protecting group and steroid backbone influences its solubility profile and stability characteristics. As a solid organic compound, it requires controlled storage conditions to maintain structural integrity and prevent degradation of the sensitive spiro-linked dioxolane moiety.
What is (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one used for?
This compound serves as an important intermediate in pharmaceutical synthesis and steroid chemistry research. Its unique spiro structure and protected ketone functionality make it valuable for developing hormone-related therapeutics and conducting biochemical studies. The compound is primarily utilized in professional laboratory settings for synthetic organic chemistry applications, particularly in projects requiring precise stereochemical control and functional group protection strategies.
How to handle (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Repr. 1B classification. Work must be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin contact and ingestion, as this compound poses reproductive hazards. Implement strict hygiene protocols, wash hands thoroughly after handling, and ensure proper training on hazard communication and emergency procedures.
How to store (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one correctly?
Store this compound in a cool, dry place away from heat sources and direct sunlight to prevent degradation of the dioxolane protecting group. Keep containers tightly sealed in a designated chemical storage area with appropriate ventilation and temperature control. Ensure segregation from incompatible materials and implement restricted access protocols due to its reproductive toxicity classification. Regular inventory checks and proper labeling are essential for safe storage management.
What to do in case of contact with (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one?
In case of skin contact, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Do not induce vomiting if ingested; rinse mouth with water. Seek immediate medical attention in all cases of exposure, informing healthcare providers of the reproductive toxicity hazards.
How to dispose of (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one properly?
Dispose of this compound through licensed hazardous waste disposal services in accordance with local and EU waste regulations. The material requires classification as hazardous waste due to its reproductive toxicity and environmental impact classifications. Never dispose of via regular waste streams or pour down drains. Collect waste in appropriate containers, properly label with hazard information, and maintain disposal documentation for regulatory compliance and traceability.
How to transport (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one?
Transport this compound under ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III classification. Use appropriate packaging that meets UN specification requirements for Class 9 materials. Ensure proper hazard labeling with GHS08 and GHS09 pictograms and 'Danger' signal word. Transportation documentation must include proper shipping name, hazard class, and emergency contact information. Comply with all applicable transportation regulations for hazardous materials.
Is (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one subject to specific regulations?
This compound is regulated under EU CLP Regulation with mandatory classification as Repr. 1B, STOT RE 2, and Aquatic Chronic 2, requiring specific labeling and safety data sheets. While not currently listed as a SVHC under REACH, it must comply with standard registration and notification requirements. Users must implement appropriate risk management measures and ensure worker protection due to its reproductive toxicity classification and environmental hazard profile.
Where to buy (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one in Europe?
OYSI serves as a reliable European distributor for this specialized steroid intermediate, providing quality chemicals to research institutions and pharmaceutical companies. As a professional chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for hazardous materials. Contact OYSI directly for availability, technical specifications, and safety data sheets. Professional customers can rely on OYSI's expertise in hazardous chemical distribution and regulatory requirements across European markets.
Services for (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
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SDS Service
Request Safety Data Sheet for (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
Technical Consulting
Application advice for (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
REACH Safety Data Sheet
REACH Compliance Service
Digital Product Passport
EU-compliant product documentation
ADR Consulting for (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
(8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-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.