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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8QptkqEYxHh
Name 5β-Cholanic acid-3α, 12α-diol methyl ester
Source of Sample Steraloids Inc.
Catalog Number C1130-000
Lot Number B0192
CAS Registry Number 3245-38-3
Classification cholesteryl type
Copyright Copyright © 2013-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42O4
InChI InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,22+,24+,25-/m1/s1
InChIKey ZHUOOEGSSFNTNP-JMKDMENQSA-N
Melting Point 93.0 - 95.0 °C
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd:YAG
Source of Spectrum Forensic Spectral Research
Synonyms 5b-Cholanic acid-3a,12a-diol, methyl ester; 5b-Cholan-24-oic acid-3a,12a-diol, methyl ester; Deoxycholic acid, methyl ester; Methyldesoxycholate
Technique FT-Raman