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3α-hydroxychola-7,9(11)-dien-24-oic acid, methyl ester, acetate

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

3α-hydroxychola-7,9(11)-dien-24-oic acid, methyl ester, acetate
SpectraBase Compound ID FwkHmuayhxR
InChI InChI=1S/C27H40O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,13,17,19-20,22-23H,6-7,9-12,14-16H2,1-5H3/t17-,19-,20-,22-,23+,26+,27-/m1/s1
InChIKey CWNZOPLFCKPLLI-LYKLEIOISA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H40O4
Exact Mass 428.29266 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID nQ5qmxiop7
Name 3α-hydroxychola-7,9(11)-dien-24-oic acid, methyl ester, acetate
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S63716
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O4
InChI InChI=1S/C27H40O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,13,17,19-20,22-23H,6-7,9-12,14-16H2,1-5H3/t17-,19-,20-,22-,23+,26+,27-/m1/s1
InChIKey CWNZOPLFCKPLLI-LYKLEIOISA-N
Molecular Weight 428.613007
Synonyms CHOLA-7,9/11/-DIEN-24-OIC ACID, 3A-HYDROXY-, METHYL ESTER, ACETATE
Technique KBr WAFER