(3S,8R,9S,10R,13R,14S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Basic information
- CAS
121108-99-4- Standard SMILES
CC(C)=CCC[C@@H](C)C1CC[C@@]2(C)[C@@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
JPIRLIZZOSSGHC-ZESBWBIMSA-N- Molecular formula
- C30H50O
- Average molar mass
- 426.7 g/mol
- Monoisotopic mass
- 426.38616621
Names & identifiers
- Preferred name
- (3S,8R,9S,10R,13R,14S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
- IUPAC
- (3S,8R,9S,10R,13R,14S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Names & synonyms
Lanosta-5,24-dien-3-olDTXSID20923681(17xi)-Lanosta-5,24-dien-3beta-ol(3S,8R,9S,10R,13R,14S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Database identifiers
- CAS
121108-99-4- PubChem CID
- 129371
- DTXSID
DTXSID20923681
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 754
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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