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5β-cholanic acid-3α,7α-diol methyl ester
SpectraBase Compound ID AuXDV5i8fVf
InChI InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,23+,24+,25-/m1/s1
InChIKey GRQROVWZGGDYSW-IFJDUOSNSA-N
Mol Weight 406.6 g/mol
Molecular Formula C25H42O4
Exact Mass 406.30831 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID J714oQKyBbs
Name 5β-cholanic acid-3α,7α-diol methyl ester
Source of Sample Steraloids Inc.
Catalog Number C0975-000
Lot Number 1640
Accessory DurasamplIR II
Compound Type Pure
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42O4
InChI InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,23+,24+,25-/m1/s1
InChIKey GRQROVWZGGDYSW-IFJDUOSNSA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms Chenodeoxycholic acid methyl ester; Methylchenodeoxycholate
Technique ATR-Neat (DuraSamplIR II)