| 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 |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 1moUxNuxnjl |
|---|---|
| Name | 5β-Cholanic acid-3α, 12α-diol methyl ester |
| Source of Sample | Steraloids Inc. |
| Catalog Number | C1130-000 |
| Lot Number | B0192 |
| Accessory | DurasamplIR II |
| CAS Registry Number | 3245-38-3 |
| Classification | cholesterol type |
| Copyright | Copyright © 2014-2024 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 |
| Instrument Name | Bio-Rad FTS |
| Melting Point | 93.0 - 95.0 °C |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | Deoxycholic acid methyl ester; Methyldeoxycholate; Methyldesoxycholate |
| Technique | ATR-Neat (DuraSamplIR II) |