| SpectraBase Compound ID | 9B8EGMTY6ZS |
|---|---|
| InChI | InChI=1S/C22H36O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h13-19,23H,4-12H2,1-3H3,(H,24,25)/t13?,14-,15-,16?,17?,18?,19?,21-,22+/m0/s1 |
| InChIKey | MXPSDGOATJUNDN-PUQOTRCGSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C22H36O3 |
| Exact Mass | 348.266445 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | AYBGMgJsAah |
|---|---|
| Name | 23,24-Bisnor-5α-cholanic acid-3β-ol |
| Source of Sample | Steraloids Inc. |
| Catalog Number | B0300-000 |
| Lot Number | B0873 |
| CAS Registry Number | 94987-61-8 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H36O3 |
| InChI | InChI=1S/C22H36O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h13-19,23H,4-12H2,1-3H3,(H,24,25)/t13?,14-,15-,16?,17?,18?,19?,21-,22+/m0/s1 |
| InChIKey | MXPSDGOATJUNDN-PUQOTRCGSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | O[C@@]1(C[C@@]2(CCC3C4CCC(C(C(=O)O)C)[C@]4(CCC3[C@]2(CC1)C)C)[H])[H] |
| Source of Spectrum | Forensic Spectral Research |
| Technique | KBr1 |