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Methyl 3a,7a,12a-trihydroxy-5b-cholan-24-oate

View entire compound with spectra: 3 NMR, 3 FTIR, and 1 Raman

Methyl 3a,7a,12a-trihydroxy-5b-cholan-24-oate
SpectraBase Compound ID 4MXd7G0VCoc
InChI InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChIKey DLYVTEULDNMQAR-SRNOMOOLSA-N
Mol Weight 422.6 g/mol
Molecular Formula C25H42O5
Exact Mass 422.303224 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 4anY0OjBTMC
Name Methyl cholate
Source of Sample Alfa Aesar, a Johnson Matthey Company
Catalog Number L05129
Accessory DurasamplIR II
CAS Registry Number 1448-36-8
Compound Type Pure
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42O5
InChI InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChIKey DLYVTEULDNMQAR-SRNOMOOLSA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms Cholicacid, methyl ester; Methyl 3a,7a,12a-trihydroxy-5b-cholan-24-oate; Methyl 3a,7a,12a-trihydroxy-5b-cholanoate
Technique ATR-Neat (DuraSamplIR II)