John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Clww8KJKGMe SpectraBase Spectrum ID=1Iwuc987Gik

(accessed ).
5β-pregnane-3α,6α,17,20α,21-pentol, 3,6,20,21-tetraacetate
SpectraBase Compound ID Clww8KJKGMe
InChI InChI=1S/C29H44O9/c1-16(30)35-15-26(38-19(4)33)29(34)12-9-23-21-14-25(37-18(3)32)24-13-20(36-17(2)31)7-10-27(24,5)22(21)8-11-28(23,29)6/h20-26,34H,7-15H2,1-6H3/t20-,21-,22+,23+,24+,25+,26+,27-,28+,29+/m1/s1
InChIKey DJMZQJPZJMJKFU-BDMVBMHQSA-N
Mol Weight 536.7 g/mol
Molecular Formula C29H44O9
Exact Mass 536.298533 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1Iwuc987Gik
Name 5β-pregnane-3α,6α,17,20α,21-pentol, 3,6,20,21-tetraacetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O9
InChI InChI=1S/C29H44O9/c1-16(30)35-15-26(38-19(4)33)29(34)12-9-23-21-14-25(37-18(3)32)24-13-20(36-17(2)31)7-10-27(24,5)22(21)8-11-28(23,29)6/h20-26,34H,7-15H2,1-6H3/t20-,21-,22+,23+,24+,25+,26+,27-,28+,29+/m1/s1
InChIKey DJMZQJPZJMJKFU-BDMVBMHQSA-N
Literature Reference J. BIOL. CHEM. 241, 5325(1966) Abstract-Chemical Abstracts= 65, 18939D(1966)
Melting Point 103-105C
Molecular Weight 536.661987
SpectraBase Batch ID DvdYoiP67ru
Synonyms 5B-PREGNANE-3A,6A,17,20A,21-PENTOL, 3,6,20,21-TETRAACETATE
Technique KBr WAFER