Basic information
- CAS
13002-74-9- Standard SMILES
C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@]12C- InChIKey
PCLVCBKFPLGSDV-SDOSKULHSA-N- Molecular formula
- C24H40O2
- Average molar mass
- 360.6 g/mol
- Monoisotopic mass
- 360.30283051
Names & identifiers
- Preferred name
- CID 249707
- IUPAC
- (3R,5R,8S,10S,13R,14S,17R)-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Names & synonyms
13002-74-9NSC68289NSC-68289
Database identifiers
- CAS
13002-74-9- PubChem CID
- 249707
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 554
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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