Basic information
- CAS
6944-47-4- Standard SMILES
C[C@]12CC[C@H](C3CCCC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12- InChIKey
RBCMLWGBXWRMNN-OPKHLUCYSA-N- Molecular formula
- C24H40O
- Average molar mass
- 344.6 g/mol
- Monoisotopic mass
- 344.3079159
Names & identifiers
- Preferred name
- 3beta-Cyclopentyl-5alpha-androstan-17beta-ol
- IUPAC
- (3S,5S,8R,9S,10S,13S,14S,17S)-3-cyclopentyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
Names & synonyms
3beta-Cyclopentyl-5alpha-androstan-17beta-ol6944-47-4(3S,5S,8R,9S,10S,13S,14S,17S)-3-cyclopentyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-olCHEBI:79503NSC58790NSC-58790Q27148587
Database identifiers
- CAS
6944-47-4- PubChem CID
- 246162
- ChEBI
CHEBI:79503- Nikkaji
- J2.791.430F
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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