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Pregna-5,20-diene-3.alpha.,7.alpha.-diol - 3.alpha.-Acetate
SpectraBase Compound ID 4C6eDHzrIB8
InChI InChI=1S/C23H34O3/c1-5-15-6-7-18-21-19(9-11-22(15,18)3)23(4)10-8-17(26-14(2)24)12-16(23)13-20(21)25/h5,13,15,17-21,25H,1,6-12H2,2-4H3/t15-,17+,18-,19-,20+,21-,22+,23-/m0/s1
InChIKey WJKSSWLQONOTSJ-YMVHTGQWSA-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 CmSR8i1IOwW
Name Pregna-5,20-diene-3.alpha.,7.alpha.-diol - 3.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(26-14(2)24)12-16(23)13-20(21)25/h5,13,15,17-21,25H,1,6-12H2,2-4H3/t15-,17+,18-,19-,20+,21-,22+,23-/m0/s1
InChIKey WJKSSWLQONOTSJ-YMVHTGQWSA-N
Molecular Weight 358.522 g/mol
SMILES O[C@]1([C@]2([C@@]3(CC[C@@]([C@]3(CC[C@@]2([C@@]2(C(=C1)C[C@](OC(=O)C)(CC2)[H])C)[H])C)(C=C)[H])[H])[H])[H]
SPLASH splash10-0002-2190000000-131e828efcd3bac37fe9
Source of Spectrum G4-60-576-1
Synonyms (3alpha,7alpha)-7-hydroxypregna-5,20-dien-3-yl acetate Acetic acid[(3R,7S,8S,9S,10R,13R,14S,17R)-17-ethenyl-7-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester Acetic acid[(3R,7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-vinyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3R,7S,8S,9S,10R,13R,14S,17R)-17-ethenyl-10,13-dimethyl-7-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate [(3R,7S,8S,9S,10R,13R,14S,17R)-17-ethenyl-7-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3R,7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-vinyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate Acetic acid [(3R,7S,8S,9S,10R,13R,14S,17R)-17-ethenyl-7-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3R,7S,8S,9S,10R,13R,14S,17R)-17-ethenyl-7-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3R,7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-vinyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3R,7S,8S,9S,10R,13R,14S,17R)-17-ethenyl-10,13-dimethyl-7-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Wiley ID 1606730