Basic information
- CAS
20802-57-7- Standard SMILES
COC1=CC2=CCC3C(CCC4(C)C3CCC43CCC(=O)O3)C2(C)CC1- InChIKey
OKMHWOWJDRPCCT-UHFFFAOYSA-N- Molecular formula
- C23H32O3
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.23514488
Names & identifiers
- Preferred name
- 3-Methoxy-10,13-dimethylspiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one
- IUPAC
- 3-methoxy-10,13-dimethylspiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one
Names & synonyms
20802-57-73-methoxy-10,13-dimethylspiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one7-methoxy-9a,11a-dimethyl-2,3,3a,3b,4,8,9,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-5'-oneDTXSID20943026AKOS037656106VS-12120NS000512273-Methoxy-10,13-dimethyl-1,2,7,8,9,10,11,12,13,14,15,16-dodecahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxolan]-5'-one3-methoxy-10,13-dimethyl-spiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2'-one
Database identifiers
- CAS
20802-57-7- PubChem CID
- 89387
- DTXSID
DTXSID20943026- EC Number
- 244-047-7
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 706
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 3-methoxypregna-3,5-diene-21,17α-carbolactone (EC: 244-047-7)
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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