[2-(3,17-dihydroxy-10,13-dimethyl-12-oxo-2,3,4,7,8,9,11,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
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Basic information
- Standard SMILES
CC(=O)OCC(=O)C1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CC(=O)C21C- InChIKey
QOFYNWACMFHEBF-UHFFFAOYSA-N- Molecular formula
- C23H32O6
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.21988874
Names & identifiers
- Preferred name
- [2-(3,17-dihydroxy-10,13-dimethyl-12-oxo-2,3,4,7,8,9,11,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
- IUPAC
- [2-(3,17-dihydroxy-10,13-dimethyl-12-oxo-2,3,4,7,8,9,11,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Names & synonyms
NSC192724NSC-192724
Database identifiers
- PubChem CID
- 303597
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 786
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Related reactions
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Compound notes
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