16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide
Basic information
- CAS
51227-49-7- Standard SMILES
CC(=O)O[C@H]1C[C@]2(O)C3CC[C@@H]4CC(=O)CC[C@]4(C)C3CC[C@]2(C)C1C1=CC(=O)OC1- InChIKey
LSJGAOKAEAXKPB-HBONCCPJSA-N- Molecular formula
- C25H34O6
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.2355388
Names & identifiers
- Preferred name
- 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide
- IUPAC
- [(5R,10S,13R,14S,16S)-14-hydroxy-10,13-dimethyl-3-oxo-17-(5-oxo-2H-furan-3-yl)-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
Names & synonyms
DTXSID3096549616-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide(8xi,9xi,17xi)-16beta-(Acetyloxy)-14-hydroxy-3-oxo-5beta-card-20(22)-enolide
Database identifiers
- CAS
51227-49-7- PubChem CID
- 39936
- DTXSID
DTXSID30965496
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 862
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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