Basic information
- CAS
3810-94-4- Standard SMILES
C[C@]12CCC(=O)C[C@H]1CCC1C2CC(=O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O- InChIKey
SHRGTLYZJIVTMQ-HAXYUZPQSA-N- Molecular formula
- C23H30O5
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.20932405
Names & identifiers
- Preferred name
- 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy-
- IUPAC
- (5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,4,5,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,12-dione
Names & synonyms
3810-94-45-beta-CARD-20(22)-ENOLIDE, 3,12-DIOXO-14-HYDROXY-RefChem:1072676Digoxigenone3,12-Digoxigendione(5-beta)-14-Hydroxy-3,12-dioxocard-20(22)-enolideCard-20(22)-enolide, 14-hydroxy-3,12-dioxo-, (5-beta)-DTXSID7095905614-Hydroxy-3,12-dioxocard-20(22)-enolide(8xi,9xi)-14-Hydroxy-3,12-dioxo-5beta-card-20(22)-enolide
Database identifiers
- CAS
3810-94-4- PubChem CID
- 19652
- DTXSID
DTXSID70959056
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 799
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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