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3α,6α-dihydroxy-5β-pregnan-20-one

View entire compound with spectra: 2 NMR, 2 FTIR, 1 Raman, and 2 MS (GC)

3α,6α-dihydroxy-5β-pregnan-20-one
SpectraBase Compound ID 9KnzodtnKHx
InChI InChI=1S/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15-,16+,17+,18+,19+,20-,21-/m1/s1
InChIKey HHUZGDMRRLQZIQ-PXWUZWBYSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JG26KmmNX3t
Name 3α,6α-dihydroxy-5β-pregnan-20-one
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15-,16+,17+,18+,19+,20-,21-/m1/s1
InChIKey HHUZGDMRRLQZIQ-PXWUZWBYSA-N
Literature Reference J. BIOL. CHEM. 241, 5325(1966) Abstract-Chemical Abstracts= 65, 18939(1966)
Melting Point 192-195C
Molecular Weight 334.500000
Synonyms 5B-PREGNAN-20-ONE, 3A,6A-DIHYDROXY-, 5B-PREGNAN-20-ONE, 3A,6A-DIHYDROXY-,
Technique KBr WAFER