[14,15-Dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Basic information
- CAS
4534-19-4- Standard SMILES
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(c4ccc(=O)oc4)CC(O)C32O)C1- InChIKey
XFPUHZSRQDIMPV-UHFFFAOYSA-N- Molecular formula
- C26H36O6
- Average molar mass
- 444.6 g/mol
- Monoisotopic mass
- 444.25118886
Names & identifiers
- Preferred name
- [14,15-Dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
- IUPAC
- [14,15-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
NSC2485274534-19-4DTXSID40311965NSC-2485273-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide
Database identifiers
- CAS
4534-19-4- PubChem CID
- 317280
- DTXSID
DTXSID40311965
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 878
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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