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5β-pregnane-3α,17,20β-triol

View entire compound with spectra: 1 NMR, and 1 FTIR

5β-pregnane-3α,17,20β-triol
SpectraBase Compound ID 8QDQ0WeIRfT
InChI InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18+,19+,20+,21+/m1/s1
InChIKey SCPADBBISMMJAW-OYMMSLOLSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID EEn5Ac0DqLd
Name 5β-pregnane-3α,17,20β-triol
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 1165-28-2
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18+,19+,20+,21+/m1/s1
InChIKey SCPADBBISMMJAW-OYMMSLOLSA-N
Literature Reference J. ORG. CHEM. 34, 3505(1969) Abstract-Chemical Abstracts= 72, 12958(1969)
Melting Point 217-219C
Molecular Weight 336.515991
Synonyms 5B-PREGNANE-3A,17,20B-TRIOL 5B-PREGNANE-3A,17,20B-TRIOL
Technique KBr WAFER