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Methyl-3α,12α-diacetoxycholanate

Compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

Methyl-3α,12α-diacetoxycholanate
SpectraBase Compound ID HefwFsVDQQO
InChI InChI=1S/C29H46O6/c1-17(7-12-27(32)33-6)23-10-11-24-22-9-8-20-15-21(34-18(2)30)13-14-28(20,4)25(22)16-26(29(23,24)5)35-19(3)31/h17,20-26H,7-16H2,1-6H3/t17-,20-,21-,22+,23-,24+,25+,26+,28+,29-/m1/s1
InChIKey DESKMGPXRKEZPC-XEYIWHDDSA-N
Mol Weight 490.7 g/mol
Molecular Formula C29H46O6
Exact Mass 490.329439 g/mol
Enantiomer InChIKey DESKMGPXRKEZPC-VFBRIDPXSA-N

View Spectrum of Methyl-3α,12α-diacetoxycholanate

FTIR Spectrum
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Steraloids Inc.
Source of Spectrum Forensic Spectral Research
Catalog Number C1100-000
Technique KBr0P

View Spectrum of Methyl-3α,12α-diacetoxycholanate

Raman Spectrum
Copyright Copyright © 2013-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Steraloids Inc.
Source of Spectrum Forensic Spectral Research
Catalog Number C1100-000

View Spectrum of Methyl-3α,12α-diacetoxycholanate

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DIOXANE
  • 5b-Cholanic acid-3a,12a-diol diacetate, methyl ester
  • 5β-Cholanic acid-3α, 12α-diol diacetate
  • METHYL-3-ALPHA-12-ALPHA-BIS-(ACETYLOXY)-5-BETA-CHOLAN-24-OATE
Desoxycholic acid, methyl ester diacetate
METHYL-3,12-DIACETYLDESOXYCHOLATE
Cholan-24-oic acid, 3,12-bis(acetyloxy)-, (3.alpha.,5.beta.,12.alpha.)-
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Cholestan-24-one, 3,12-bis(acetyloxy)-, (3.alpha.,5.beta.,12.alpha.)-
Cholane-24-thioic acid, 3,12-bis(acetyloxy)-, S-ethyl ester, (3.beta.,5.beta.,12.alpha.)-
DCA-[G#1]-COOH
3.alpha.,12.alpha.,24-tris(Acetoxy)-5.beta.-cholane
24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,12.alpha.)-
Cholan-24-oic acid, 3,12-bis[(trifluoroacetyl)oxy]-, (3.alpha.,5.beta.,12.alpha.)-
Title Journal or Book Year
13C n.m.r. spectra of steroids —a survey and commentary Organic Magnetic Resonance 1977
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