[(8R,9S,13S,14S,17S)-17-acetyloxy-13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate

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Basic information

CAS: 14111-93-4
Standard SMILES: CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)OC(C)=O
InChIKey: IVVBEYNQFBGHBA-VROINQGHSA-N
Molecular formula: C23H30O4
Average molar mass: 370.5 g/mol
Monoisotopic mass: 370.21440943

Names & identifiers

Preferred name: [(8R,9S,13S,14S,17S)-17-acetyloxy-13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC: [(8R,9S,13S,14S,17S)-17-acetyloxy-13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate

Names & synonyms

14111-93-4NSC71299DTXSID60930990NSC-7129917-Methylestra-1(10),2,4-triene-3,17-diyl diacetate17-Methyl-17beta-estra-1(10),2,4-triene-3,17-diyl diacetate

Database identifiers

CAS: 14111-93-4
PubChem CID: 251111
DTXSID: DTXSID60930990

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 615

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Compound notes

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