Basic information
- CAS
466-08-0- Standard SMILES
C[C@]12CC[C@@H](O)C[C@@H]1CCC1C2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O- InChIKey
XZTUSOXSLKTKJQ-OZXOYNGHSA-N- Molecular formula
- C23H34O4
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.24570956
Names & identifiers
- Preferred name
- 3-Epiuzarigenin
- IUPAC
- 3-[(3R,5S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Names & synonyms
3-Epiuzarigenin3-alpha,14-Dihydroxy-5-alpha-card-20(22)-enolideDTXSID602745035-alpha-CARD-20(22)-ENOLIDE, 3-alpha,14-DIHYDROXY-Card-20(22)-enolide, 3,14-dihydroxy-, (3-alpha,5-alpha)-RefChem:278932DTXCID00225978Card-20(22)-enolide, 3,14-dihydroxy-, (3-alpha,5-alpha)-(9CI)4972-49-0466-08-0(8xi,9xi)-3alpha,14-Dihydroxy-5alpha-card-20(22)-enolide
Database identifiers
- CAS
466-08-0、4972-49-0- PubChem CID
- 10071
- DTXSID
DTXSID60274503
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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