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3α,12α-dihydroxy-5β-pregnan-20-one, diacetate

Compound with spectra: 1 NMR, 2 FTIR, and 1 Raman

3α,12α-dihydroxy-5β-pregnan-20-one, diacetate
SpectraBase Compound ID HvbxQJBQ8kx
InChI InChI=1S/C25H38O5/c1-14(26)20-8-9-21-19-7-6-17-12-18(29-15(2)27)10-11-24(17,4)22(19)13-23(25(20,21)5)30-16(3)28/h17-23H,6-13H2,1-5H3/t17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1
InChIKey VYZPGMGWYUEREY-LCLDLZHKSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol
Enantiomer InChIKey VYZPGMGWYUEREY-OJJZHPTQSA-N

View Spectrum of 3α,12α-dihydroxy-5β-pregnan-20-one, diacetate

ATR-IR 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 P6470-000

View Spectrum of 3α,12α-dihydroxy-5β-pregnan-20-one, diacetate

1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CDCl3

View Spectrum of 3α,12α-dihydroxy-5β-pregnan-20-one, diacetate

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 P6470-000

View Spectrum of 3α,12α-dihydroxy-5β-pregnan-20-one, diacetate

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
Technique KBr WAFER
  • 3a,12a-Diacetoxypregnan-20-one diacetate
  • 5B-PREGNAN-20-ONE, 3A,12A-DIHYDROXY-, DIACETATE
5β-Pregnan-3α,12α-diol-20-one diacetate
5.beta.-Pregnan-20-one, 3.alpha.,12.alpha.-dihydroxy-, 12-acetate
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
Cholane-24-thioic acid, 3,12-bis(acetyloxy)-, S-ethyl ester, (3.beta.,5.beta.,12.alpha.)-
24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,12.alpha.)-
Cholestan-24-one, 3,12-bis(acetyloxy)-, (3.alpha.,5.beta.,12.alpha.)-
Desoxycholic acid, methyl ester diacetate
METHYL-3,12-DIACETYLDESOXYCHOLATE
Methyl-3α,12α-diacetoxycholanate
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