| 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 |
Raman Spectrum
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| SpectraBase Spectrum ID | 9TBatgX9eft |
|---|---|
| Name | 5β-cholanic acid-3α,7α-diol methyl ester |
| Source of Sample | Steraloids Inc. |
| Catalog Number | C0975-000 |
| Lot Number | 1640 |
| Classification | cholesteryl type |
| Copyright | Copyright © 2013-2024 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 |
| Melting Point | 66.0 - 68.0 °C |
| Raman Corrections | Referenced to internal white light source; 180 Degree backscatter |
| Raman Laser Source | Nd:YAG |
| Sadtler IR Number | DW2138 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | Chenodeoxycholic acid methyl ester; Methylchenodeoxycholate |
| Technique | FT-Raman |