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3Alpha,12ALPHA,21-trihydroxy-5beta-pregnan-20-one, triacetate

Compound with spectra: 2 NMR, and 1 FTIR

3Alpha,12ALPHA,21-trihydroxy-5beta-pregnan-20-one, triacetate
SpectraBase Compound ID KWb5guVzYN5
InChI InChI=1S/C27H40O7/c1-15(28)32-14-24(31)22-9-8-21-20-7-6-18-12-19(33-16(2)29)10-11-26(18,4)23(20)13-25(27(21,22)5)34-17(3)30/h18-23,25H,6-14H2,1-5H3/t18-,19-,20+,21+,22-,23+,25+,26+,27+/m1/s1
InChIKey DHNYKYRWVKTYBX-LTZMEBRVSA-N
Mol Weight 476.6 g/mol
Molecular Formula C27H40O7
Exact Mass 476.277404 g/mol
Enantiomer InChIKey DHNYKYRWVKTYBX-LQNSVPESSA-N

View Spectrum of 3Alpha,12ALPHA,21-trihydroxy-5beta-pregnan-20-one, triacetate

13C NMR Spectrum
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of 3Alpha,12ALPHA,21-trihydroxy-5beta-pregnan-20-one, triacetate

1H NMR Spectrum
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CDCl3

View Spectrum of 3Alpha,12ALPHA,21-trihydroxy-5beta-pregnan-20-one, triacetate

FTIR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
Technique KBr WAFER
  • 5B-PREGNAN-20-ONE, 3A,12A,21-TRI- HYDROXY-, TRIACETATE
3α,12α-dihydroxy-5β-pregnan-20-one, diacetate
Pregnane-3A,12A-diol-20-one diacetate
5β-Pregnan-3α,12α-diol-20-one diacetate
DCA-[G#1]-CO2CH2C6H5
23-(Benzothiazol-2'-yl)-3.alpha.,12.alpha.-diacetoxynor-cholane
DCA-[G#1]-COOH
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis[3-(4-nitrophenyl)-1-oxopropoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-12-[2-(4-nitrophenyl)acetyl]oxy-3-[4-(4-nitrophenyl)butanoyloxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
Methyl 3.alpha.-[(4-nitrophenyl)acetoxy]-12.alpha.-[4-(4-nitrophenyl)butanoyloxy]-5.beta.-cholan-24-oate
Acetic acid (3S,5S,8R,9S,10S,12R,13S,14S,16S,17S)-12-acetoxy-16-hydroxy-17-((S)-1-hydroxy-ethyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester
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