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3,12-Dihydroxycholan-24-oic acid, diformate

View entire compound with spectra: 2 NMR, and 1 FTIR

3,12-Dihydroxycholan-24-oic acid, diformate
SpectraBase Compound ID 3wEGXad9Y34
InChI InChI=1S/C26H40O6/c1-16(4-9-24(29)30)20-7-8-21-19-6-5-17-12-18(31-14-27)10-11-25(17,2)22(19)13-23(32-15-28)26(20,21)3/h14-23H,4-13H2,1-3H3,(H,29,30)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
InChIKey JFAHDZYELPHHBK-VAYUFCLWSA-N
Mol Weight 448.6 g/mol
Molecular Formula C26H40O6
Exact Mass 448.282489 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 96LrvTckkVT
Name 3,12-Dihydroxycholan-24-oic acid, diformate
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S54063
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O6
InChI InChI=1S/C26H40O6/c1-16(4-9-24(29)30)20-7-8-21-19-6-5-17-12-18(31-14-27)10-11-25(17,2)22(19)13-23(32-15-28)26(20,21)3/h14-23H,4-13H2,1-3H3,(H,29,30)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
InChIKey JFAHDZYELPHHBK-VAYUFCLWSA-N
Molecular Weight 448.600006
Synonyms CHOLAN-24-OIC ACID, 3,12-DI- HYDROXY-, DIFORMATE CHOLANIC ACID, 3,12-DIHYDROXY-, DI- FORMATE
Technique KBr WAFER