| SpectraBase Compound ID | E8HOPcDWPFa |
|---|---|
| InChI | InChI=1S/C26H45NO6S/c1-16(4-7-24(30)27-12-13-34(31,32)33)19-5-6-20-18-15-23(29)22-14-17(28)8-10-26(22,3)21(18)9-11-25(19,20)2/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18+,19-,20+,21+,22+,23+,25-,26-/m1/s1 |
| InChIKey | HMXPOCDLAFAFNT-BHYUGXBJSA-N |
| Mol Weight | 499.7 g/mol |
| Molecular Formula | C26H45NO6S |
| Exact Mass | 499.296759 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HZ27XpRRrU0 |
|---|---|
| Name | 5β-cholanic acid-3α,6α-diol N-(2-sulfoethyl)amide |
| Source of Sample | Steraloids Inc. |
| Catalog Number | C0890-000 |
| Lot Number | G637 |
| CAS Registry Number | 38411-85-7 |
| Classification | cholesteryl type |
| Copyright | Copyright © 2013-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H45NO6S |
| InChI | InChI=1S/C26H45NO6S/c1-16(4-7-24(30)27-12-13-34(31,32)33)19-5-6-20-18-15-23(29)22-14-17(28)8-10-26(22,3)21(18)9-11-25(19,20)2/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18+,19-,20+,21+,22+,23+,25-,26-/m1/s1 |
| InChIKey | HMXPOCDLAFAFNT-BHYUGXBJSA-N |
| Melting Point | 198.0 - 200.0 °C |
| Raman Corrections | Referenced to internal white light source; 180 Degree backscatter |
| Raman Laser Source | Nd:YAG |
| Sadtler IR Number | DW1541 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | Taurohyodeoxycholic acid |
| Technique | FT-Raman |