Pregna-3,5-dien-20-one, 3-(acetyloxy)-

HCID 134580

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Basic information

CAS: 4954-06-7
Standard SMILES: CC(=O)OC1=CC2=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1
InChIKey: YIPYJRPRHUJJDP-WKOLOUIMSA-N
Molecular formula: C23H32O3
Average molar mass: 356.5 g/mol
Monoisotopic mass: 356.23514488

Names & identifiers

Preferred name: Pregna-3,5-dien-20-one, 3-(acetyloxy)-
IUPAC: [(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Names & synonyms

Progesterone 3-acetate7RB32A7QSDPregna-3,5-dien-20-one, 3-(acetyloxy)-4954-06-7NSC-124740UNII-7RB32A7QSDSCHEMBL30332128NSC 124740PROGESTERONE 3-ACETYL ENOL ETHERPREGNA-3,5-DIEN-20-ONE, 3-HYDROXY-, ACETATE

Database identifiers

CAS: 4954-06-7
PubChem CID: 134580
UNII: 7RB32A7QSD
Nikkaji: J428.719C

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 26
Formal charge: 0
Complexity: 702

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