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5.alpha.-Cholest-7-en-24-one, 3.beta.-hydroxy-4.alpha.-methyl-, acetate
SpectraBase Compound ID CnExs0CUABP
InChI InChI=1S/C30H48O3/c1-18(2)27(32)13-8-19(3)23-11-12-25-22-9-10-24-20(4)28(33-21(5)31)15-17-30(24,7)26(22)14-16-29(23,25)6/h9,18-20,23-26,28H,8,10-17H2,1-7H3/t19-,20+,23-,24+,25+,26+,28+,29-,30+/m1/s1
InChIKey DGKGWYSWRYXVCF-BTSVRZMESA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XuboXgM6y2
Name 5.alpha.-Cholest-7-en-24-one, 3.beta.-hydroxy-4.alpha.-methyl-, acetate
Alternate Name(s) Cholest-7-en-24-one, 3-(acetyloxy)-4-methyl-, (3.beta.,4.alpha.,5.alpha.)- (3beta,4alpha,5alpha)-4-methyl-24-oxocholest-7-en-3-yl acetate 3.beta.-acetoxy-4.alpha.-methyl-5.alpha.-cholest-7-en-24-one
CAS Registry Number 2364-32-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-18(2)27(32)13-8-19(3)23-11-12-25-22-9-10-24-20(4)28(33-21(5)31)15-17-30(24,7)26(22)14-16-29(23,25)6/h9,18-20,23-26,28H,8,10-17H2,1-7H3/t19-,20+,23-,24+,25+,26+,28+,29-,30+/m1/s1
InChIKey DGKGWYSWRYXVCF-BTSVRZMESA-N
Molecular Weight 456.711 g/mol
SMILES C1=2[C@@]([C@]3(CC[C@@]([C@]([C@@]3(CC2)[H])(C)[H])(OC(=O)C)[H])C)(CC[C@]2([C@]1(CC[C@@]2([C@@](CCC(=O)C(C)C)(C)[H])[H])[H])C)[H]
SPLASH splash10-0a6r-0057900000-a70ea3a0a61114298212
Source of Spectrum K-110-1530-0
Wiley ID 1389473