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5.alpha.-stigmast-9(11)-en-3.beta.-ol acetate

View entire compound with spectra: 2 MS (GC)

5.alpha.-stigmast-9(11)-en-3.beta.-ol acetate
SpectraBase Compound ID AmvPSsG9xy2
InChI InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h16,20-21,23-28H,8-15,17-19H2,1-7H3/t21-,23-,24+,25+,26+,27-,28+,30+,31-/m1/s1
InChIKey XSFGFJWHQGJWJB-XMPHIPQDSA-N
Mol Weight 456.8 g/mol
Molecular Formula C31H52O2
Exact Mass 456.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bV0i9Rr5Lw
Name 5.alpha.-stigmast-9(11)-en-3.beta.-ol acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O2
InChI InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h16,20-21,23-28H,8-15,17-19H2,1-7H3/t21-,23-,24+,25+,26+,27-,28+,30+,31-/m1/s1
InChIKey XSFGFJWHQGJWJB-XMPHIPQDSA-N
Molecular Weight 456.755 g/mol
SMILES C=12[C@@]3([C@@](C[C@@](OC(=O)C)(CC3)[H])([H])CC[C@]2([C@@]2(CC[C@@]([C@]2(CC1)C)([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])[H])[H])C
SPLASH splash10-08gi-0093400000-79ab4b5268b6207b52c7
Source of Spectrum C-99-4483-0
Synonyms 5.alpha. - stigmast - 9(11) - en - 3.beta. - ol acetate (3beta,5alpha)-stigmast-9(11)-en-3-yl acetate Acetic acid[(3S,5S,8S,10S,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester Acetic acid[(3S,5S,8S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3S,5S,8S,10S,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3S,5S,8S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate [(3S,5S,8S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate Acetic acid [(3S,5S,8S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,5S,8S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5S,8S,10S,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5S,8S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Wiley ID 1389534