| SpectraBase Compound ID | 3bE7LFly4cj |
|---|---|
| InChI | InChI=1S/C22H34O3/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/h4,13,15-19,23H,5-12H2,1-3H3,(H,24,25)/t13-,15-,16-,17+,18-,19-,21-,22+/m0/s1 |
| InChIKey | NPBNRBWMDNZEBN-ZLWIHRGSSA-N |
| Mol Weight | 346.5 g/mol |
| Molecular Formula | C22H34O3 |
| Exact Mass | 346.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6H9K5VQ62ZW |
|---|---|
| Name | 23,24-Bisnor-5-cholenic acid-3beta-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.250794952 u |
| Formula | C22H34O3 |
| InChI | InChI=1S/C22H34O3/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/h4,13,15-19,23H,5-12H2,1-3H3,(H,24,25)/t13-,15-,16-,17+,18-,19-,21-,22+/m0/s1 |
| InChIKey | NPBNRBWMDNZEBN-ZLWIHRGSSA-N |
| SMILES | OC([C@]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@]4(CC[C@@](CC4=CC3)(O)[H])C)(CC2)[H])[H])(CC1)[H])C)[H])(C)[H])=O |