Basic information
- CAS
1162-58-9- Standard SMILES
CC(=O)c1ccc2c(c1C)C[C@H]1[C@H]2CC[C@H]2C[C@@H](O)CC[C@@]21C- InChIKey
WLXHUIAVCXJBRG-HHSPJAECSA-N- Molecular formula
- C21H28O2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.20893013
Names & identifiers
- Preferred name
- D(17a)-Homo-C,18-dinorpregna-13,15,17-trien-20-one, 3-hydroxy-17a-methyl-, (3beta,5alpha)-
- IUPAC
- 1-[(3S,4aS,6aR,11aS,11bS)-3-hydroxy-10,11b-dimethyl-1,2,3,4,4a,5,6,6a,11,11a-decahydrobenzo[a]fluoren-9-yl]ethanone
Names & synonyms
1162-58-9RefChem:336419D(17a)-Homo-C,18-dinorpregna-13,15,17-trien-20-one, 3-hydroxy-17a-methyl-, (3beta,5alpha)-DTXSID8011299301-[(3S,4aS,6aR,11aS,11bS)-3-Hydroxy-10,11b-dimethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzo[a]fluoren-9-yl]ethan-1-oneD(17a)-Homo-C,18-dinorpregna-13,15,17-trien-20-one, 3-hydroxy-17a-methyl-, (3I(2),5I+/-)-
Database identifiers
- CAS
1162-58-9- PubChem CID
- 14101005
- DTXSID
DTXSID801129930
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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