(17-acetyl-4-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate

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Basic information

CAS: 2524-20-1
Standard SMILES: CC(=O)OC1(C(C)=O)CCC2C3CCC4=C(O)C(=O)CCC4(C)C3CCC21C
InChIKey: DVILNVCWTSDGHT-UHFFFAOYSA-N
Molecular formula: C23H32O5
Average molar mass: 388.5 g/mol
Monoisotopic mass: 388.22497412

Names & identifiers

Preferred name: (17-acetyl-4-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
IUPAC: (17-acetyl-4-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate

Names & synonyms

2524-20-1NSC522772(17-acetyl-4-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) acetateDTXSID90326024NSC-5227724-Hydroxy-3,20-dioxopregn-4-en-17-yl acetate

Database identifiers

CAS: 2524-20-1
PubChem CID: 351709
DTXSID: DTXSID90326024

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 80.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 28
Formal charge: 0
Complexity: 782

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Compound notes

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