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5β-pregnane-3α,20β,21-triol, 3,20-diacetate

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

5β-pregnane-3α,20β,21-triol, 3,20-diacetate
SpectraBase Compound ID DZCIoJWzoS6
InChI InChI=1S/C25H40O5/c1-15(27)29-18-9-11-24(3)17(13-18)5-6-19-20-7-8-22(23(14-26)30-16(2)28)25(20,4)12-10-21(19)24/h17-23,26H,5-14H2,1-4H3/t17-,18-,19+,20+,21+,22-,23-,24+,25+/m1/s1
InChIKey NOMJWUHSLYJWDK-MZXIXHSKSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BoEhWjl1uDU
Name 5β-pregnane-3α,20β,21-triol, 3,20-diacetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16062-29-6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-15(27)29-18-9-11-24(3)17(13-18)5-6-19-20-7-8-22(23(14-26)30-16(2)28)25(20,4)12-10-21(19)24/h17-23,26H,5-14H2,1-4H3/t17-,18-,19+,20+,21+,22-,23-,24+,25+/m1/s1
InChIKey NOMJWUHSLYJWDK-MZXIXHSKSA-N
Literature Reference J. ORG. CHEM. 33, 1695(1968) Abstract-Chemical Abstracts= 68, 114816(1968)
Melting Point 159-160C
Molecular Weight 420.589996
Synonyms 5B-PREGNANE-3A,20B,21-TRIOL, 3,20-DI- ACETATE
Technique KBr WAFER