Basic information
- CAS
4427-79-6- Standard SMILES
C[C@]12CC[C@H](O)C[C@H]1CCC1=C3CC[C@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@@H]12- InChIKey
FKLHKDGGCPMTAL-VZNBDMPESA-N- Molecular formula
- C23H32O3
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.23514488
Names & identifiers
- Preferred name
- 3-[(3S,5R,9R,10S,13R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- IUPAC
- 3-[(3S,5R,9R,10S,13R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- English name
- 3β-Hydroxy-5β-carda-8(14),20(22)-dienolide
- Molecular formula
- C23H32O3
- Molecular weight
- 356.5
Names & synonyms
3β-Hydroxy-5β-carda-8(14),20(22)-dienolideCarda-8(14),20(22)-dienolide, 3-hydroxy-, (3β,5β)-
Database identifiers
- CAS
4427-79-6- PubChem CID
- 12306815
- Nikkaji
- J82.324D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 704
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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