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Pregna-5,20-diene-3.beta.,7.alpha.-diol - 7.alpha.-Acetate

View entire compound with spectra: 1 MS (GC)

Pregna-5,20-diene-3.beta.,7.alpha.-diol - 7.alpha.-Acetate
SpectraBase Compound ID HNkh6X9SFaW
InChI InChI=1S/C23H34O3/c1-5-15-6-7-18-21-19(9-11-22(15,18)3)23(4)10-8-17(25)12-16(23)13-20(21)26-14(2)24/h5,13,15,17-21,25H,1,6-12H2,2-4H3/t15-,17-,18-,19-,20+,21-,22+,23-/m0/s1
InChIKey BMLPQOKRWPIIGT-OFBJMJJYSA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eju2hx781kv
Name Pregna-5,20-diene-3.beta.,7.alpha.-diol - 7.alpha.-Acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O3
InChI InChI=1S/C23H34O3/c1-5-15-6-7-18-21-19(9-11-22(15,18)3)23(4)10-8-17(25)12-16(23)13-20(21)26-14(2)24/h5,13,15,17-21,25H,1,6-12H2,2-4H3/t15-,17-,18-,19-,20+,21-,22+,23-/m0/s1
InChIKey BMLPQOKRWPIIGT-OFBJMJJYSA-N
Molecular Weight 358.522 g/mol
SMILES O[C@]1(CC[C@]2(C(=C[C@]([C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)(C=C)[H])[H])[H])(OC(=O)C)[H])C1)C)[H]
SPLASH splash10-00kg-2390000000-26df6aca38498d0ade58
Source of Spectrum G4-60-576-2
Synonyms (3beta,7alpha)-3-hydroxypregna-5,20-dien-7-yl acetate Acetic acid[(3S,7S,8S,9S,10R,13R,14S,17R)-17-ethenyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]ester Acetic acid[(3S,7S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-vinyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]ester [(3S,7S,8S,9S,10R,13R,14S,17R)-17-ethenyl-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]ethanoate [(3S,7S,8S,9S,10R,13R,14S,17R)-17-ethenyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]acetate [(3S,7S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-vinyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]acetate Acetic acid [(3S,7S,8S,9S,10R,13R,14S,17R)-17-ethenyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl] ester [(3S,7S,8S,9S,10R,13R,14S,17R)-17-ethenyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl] acetate [(3S,7S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-vinyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl] acetate [(3S,7S,8S,9S,10R,13R,14S,17R)-17-ethenyl-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl] ethanoate
Wiley ID 1606729