(8R,9S,10R,13S,14S,17S)-13,17-dimethyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
Basic information
- CAS
51258-59-4- Standard SMILES
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C- InChIKey
LFCXTTKVDPTRKF-ZOFHRBRSSA-N- Molecular formula
- C19H30O
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.22966558
Names & identifiers
- Preferred name
- (8R,9S,10R,13S,14S,17S)-13,17-dimethyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
- IUPAC
- (8R,9S,10R,13S,14S,17S)-13,17-dimethyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
Names & synonyms
NSC19860CHEMBL3273996NSC-1986051258-59-4
Database identifiers
- CAS
51258-59-4- PubChem CID
- 227797
- ChEMBL
CHEMBL3273996
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 439
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Compound notes
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