Basic information
- CAS
508-20-3- Standard SMILES
CC(=O)O[C@H]1C[C@]2(O)C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C1=CC(=O)OC1- InChIKey
IWCNCUVTGOMGKG-YBHZWUQGSA-N- Molecular formula
- C25H36O6
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.25118886
Names & identifiers
- Preferred name
- 3-Epioleandrigenin
- IUPAC
- [(3R,5R,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Names & synonyms
3-Epioleandrigenin508-20-3RefChem:10677015-beta-CARD-20(22)-ENOLIDE, 3-alpha,14,16-beta-TRIHYDROXY-, 16-ACETATECard-20(22)-enolide, 16-(acetyloxy)-3,14-dihydroxy-, (3-alpha,5-beta,16-beta)-
Database identifiers
- CAS
508-20-3- PubChem CID
- 10495
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 821
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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