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Pregna-5,20-diene-3.alpha.,7.alpha.,11.alpha.-triol - 3.alpha.-Acetate

View entire compound with spectra: 1 MS (GC)

Pregna-5,20-diene-3.alpha.,7.alpha.,11.alpha.-triol - 3.alpha.-Acetate
SpectraBase Compound ID 40pwsYGh7qN
InChI InChI=1S/C23H34O4/c1-5-14-6-7-17-20-18(25)11-15-10-16(27-13(2)24)8-9-22(15,3)21(20)19(26)12-23(14,17)4/h5,11,14,16-21,25-26H,1,6-10,12H2,2-4H3/t14-,16+,17-,18+,19+,20+,21-,22-,23+/m0/s1
InChIKey KIOFINGEIWYSNY-HGDOQPSOSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgMXQjA1s6d
Name Pregna-5,20-diene-3.alpha.,7.alpha.,11.alpha.-triol - 3.alpha.-Acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-5-14-6-7-17-20-18(25)11-15-10-16(27-13(2)24)8-9-22(15,3)21(20)19(26)12-23(14,17)4/h5,11,14,16-21,25-26H,1,6-10,12H2,2-4H3/t14-,16+,17-,18+,19+,20+,21-,22-,23+/m0/s1
InChIKey KIOFINGEIWYSNY-HGDOQPSOSA-N
Molecular Weight 374.521 g/mol
SMILES O[C@@]1(C[C@@]2([C@](CC[C@]2([C@]2([C@]1([C@@]1(C(=C[C@]2(O)[H])C[C@@](CC1)(OC(=O)C)[H])C)[H])[H])[H])(C=C)[H])C)[H]
SPLASH splash10-03di-3609000000-def045228818ce73721d
Source of Spectrum G4-60-576-4
Synonyms (3alpha,7alpha,11alpha)-7,11-dihydroxypregna-5,20-dien-3-yl acetate Acetic acid[(3R,7S,8S,9S,10R,11R,13R,14S,17R)-17-ethenyl-7,11-dihydroxy-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,11R,13R,14S,17R)-7,11-dihydroxy-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,11R,13R,14S,17R)-17-ethenyl-10,13-dimethyl-7,11-bis(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,11R,13R,14S,17R)-17-ethenyl-7,11-dihydroxy-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,11R,13R,14S,17R)-7,11-dihydroxy-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,11R,13R,14S,17R)-17-ethenyl-7,11-dihydroxy-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,11R,13R,14S,17R)-17-ethenyl-7,11-dihydroxy-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,11R,13R,14S,17R)-7,11-dihydroxy-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,11R,13R,14S,17R)-17-ethenyl-10,13-dimethyl-7,11-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Wiley ID 1606727