Basic information
- CAS
65066-26-4- Standard SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1- InChIKey
QOQGUAMQTHYADR-RBZZARIASA-N- Molecular formula
- C20H30O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.21949481
Names & identifiers
- Preferred name
- (3s,3As,5as,5br,8s,10ar,10bs)-3-hydroxy-3a,5b-dimethyl-1,2,3,3a,4,5,5a,5b,6,7,8,9,10a,10b-tetradecahydrocyclopenta[a]fluoren-8-yl acetate
- IUPAC
- [(3S,3aS,5aS,5bR,8S,10aR,10bS)-3-hydroxy-3a,5b-dimethyl-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-yl] acetate
Names & synonyms
65066-26-4(3s,3as,5as,5br,8s,10ar,10bs)-3-hydroxy-3a,5b-dimethyl-1,2,3,3a,4,5,5a,5b,6,7,8,9,10a,10b-tetradecahydrocyclopenta[a]fluoren-8-yl acetateNSC80624DTXSID50292170NSC-80624
Database identifiers
- CAS
65066-26-4- PubChem CID
- 255265
- DTXSID
DTXSID50292170
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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