| SpectraBase Compound ID | BHqa2TbBStT |
|---|---|
| InChI | InChI=1S/C26H44O/c1-17(2)6-5-7-18(3)24-12-13-25-23-10-8-19-16-20(27)9-11-21(19)22(23)14-15-26(24,25)4/h5,7,17-25,27H,6,8-16H2,1-4H3/b7-5+/t18-,19+,20+,21+,22-,23-,24-,25+,26-/m1/s1 |
| InChIKey | KBCDSNLTAKWEDU-FPZOOWIRSA-N |
| Mol Weight | 372.6 g/mol |
| Molecular Formula | C26H44O |
| Exact Mass | 372.339216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IIOD3inCaj3 |
|---|---|
| Name | 19-Norcholest-22-en-3-ol, (3.beta.,5.alpha.,22E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.339216036 u |
| Formula | C26H44O |
| InChI | InChI=1S/C26H44O/c1-17(2)6-5-7-18(3)24-12-13-25-23-10-8-19-16-20(27)9-11-21(19)22(23)14-15-26(24,25)4/h5,7,17-25,27H,6,8-16H2,1-4H3/b7-5+/t18-,19+,20+,21+,22-,23-,24-,25+,26-/m1/s1 |
| InChIKey | KBCDSNLTAKWEDU-FPZOOWIRSA-N |
| Molecular Weight | 372.637 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])[H])[H])[H])(CC[C@@]1([C@@](\C=C\CC(C)C)(C)[H])[H])[H])C |