| SpectraBase Compound ID | 9RP8SmnfzHY |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-16-5-8-24(30-15-16)17(2)25-23(29)14-22-20-7-6-18-13-19(28)9-11-26(18,3)21(20)10-12-27(22,25)4/h13,16,19-24,28-29H,5-12,14-15H2,1-4H3/b25-17+/t16-,19?,20?,21?,22?,23?,24?,26?,27?/m1/s1 |
| InChIKey | HXINVKKCLCKDCG-IQQYTGOJSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EFRQZm0eglz |
|---|---|
| Name | 22,26-Oxido-4,17-cholestadien-3.beta.,16.alpha.-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.313395209 u |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-16-5-8-24(30-15-16)17(2)25-23(29)14-22-20-7-6-18-13-19(28)9-11-26(18,3)21(20)10-12-27(22,25)4/h13,16,19-24,28-29H,5-12,14-15H2,1-4H3/b25-17+/t16-,19?,20?,21?,22?,23?,24?,26?,27?/m1/s1 |
| InChIKey | HXINVKKCLCKDCG-IQQYTGOJSA-N |
| Molecular Weight | 414.630 g/mol |
| SMILES | C1(CCC2(C(=C1)CCC1C2CCC2(C1CC(\C2=C/(C)C1OC[C@@](CC1)(C)[H])O)C)C)O |