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5β-pregnane-3α,17-diol
SpectraBase Compound ID K9TAZSKCr2B
InChI InChI=1S/C21H36O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h14-18,22-23H,4-13H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+,21-/m1/s1
InChIKey HXUOGRLXGBMRIY-FVRKDBNCSA-N
Mol Weight 320.5 g/mol
Molecular Formula C21H36O2
Exact Mass 320.27153 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 77DtxE8FtbM
Name 5β-pregnane-3α,17-diol
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16109-76-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O2
InChI InChI=1S/C21H36O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h14-18,22-23H,4-13H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+,21-/m1/s1
InChIKey HXUOGRLXGBMRIY-FVRKDBNCSA-N
Literature Reference J. ORG. CHEM. 33, 1707(1968) Abstract-Chemical Abstracts= 68, 114818(1968)
Melting Point 173.5-174C
Molecular Weight 320.516998
Synonyms 5B-PREGNANE-3A,17-DIOL
Technique KBr WAFER