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(22E)-3.beta.Acetoxy-7.alpha,-hydroperoxystigmasta-5,22-diene

View entire compound with spectra: 1 MS (GC)

(22E)-3.beta.Acetoxy-7.alpha,-hydroperoxystigmasta-5,22-diene
SpectraBase Compound ID A6BmC2saTlF
InChI InChI=1S/C31H50O4/c1-8-22(19(2)3)10-9-20(4)25-11-12-26-29-27(14-16-31(25,26)7)30(6)15-13-24(34-21(5)32)17-23(30)18-28(29)35-33/h9-10,18-20,22,24-29,33H,8,11-17H2,1-7H3/b10-9+/t20-,22-,24+,25-,26+,27+,28-,29+,30+,31-/m1/s1
InChIKey RPKHPQWHRXQGMV-KGRIQHSMSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H50O4
Exact Mass 486.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GlKO2ZSO6zl
Name (22E)-3.beta.Acetoxy-7.alpha,-hydroperoxystigmasta-5,22-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H50O4
InChI InChI=1S/C31H50O4/c1-8-22(19(2)3)10-9-20(4)25-11-12-26-29-27(14-16-31(25,26)7)30(6)15-13-24(34-21(5)32)17-23(30)18-28(29)35-33/h9-10,18-20,22,24-29,33H,8,11-17H2,1-7H3/b10-9+/t20-,22-,24+,25-,26+,27+,28-,29+,30+,31-/m1/s1
InChIKey RPKHPQWHRXQGMV-KGRIQHSMSA-N
Molecular Weight 486.737 g/mol
SMILES OO[C@@]1(C=C2[C@@]([C@]3(CC[C@]4([C@]([C@]13[H])(CC[C@@]4([C@@](\C=C\[C@](C(C)C)(CC)[H])(C)[H])[H])[H])C)[H])(CC[C@](OC(=O)C)(C2)[H])C)[H]
SPLASH splash10-00or-0000900000-7f445efdeb733df9b9c3
Source of Spectrum KC-0-2356-2
Synonyms (3beta,7alpha,22E)-7-hydroperoxystigmasta-5,22-dien-3-yl acetate Acetic acid[(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-7-hydroperoxy-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[(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-7-hydroperoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-7-hydroperoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-7-hydroperoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3S,7S,8S,9S,10R,13R,14S,17R)-7-(dioxidanyl)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate Acetic acid [(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-7-hydroperoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-7-hydroperoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-7-hydroperoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,7S,8S,9S,10R,13R,14S,17R)-7-(dioxidanyl)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Wiley ID 830882