| SpectraBase Compound ID | BjD5FqwabY5 |
|---|---|
| InChI | InChI=1S/C26H42O2/c1-18(2)28-16-14-20(4)24-12-13-25-21(7-6-15-26(24,25)5)9-10-22-17-23(27)11-8-19(22)3/h9-10,18,20,23-25,27H,3,6-8,11-17H2,1-2,4-5H3/b21-9+,22-10-/t20-,23-,24-,25+,26-/m1/s1 |
| InChIKey | WSJLNURSHNNOOA-PAYBPRNDSA-N |
| Mol Weight | 386.6 g/mol |
| Molecular Formula | C26H42O2 |
| Exact Mass | 386.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GqQCw6KpYM7 |
|---|---|
| Name | (3.beta,5Z,7E)-24-oxa-9,10-Secocholesta-5,7,10(19)-trien-3-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.318480590 u |
| Formula | C26H42O2 |
| InChI | InChI=1S/C26H42O2/c1-18(2)28-16-14-20(4)24-12-13-25-21(7-6-15-26(24,25)5)9-10-22-17-23(27)11-8-19(22)3/h9-10,18,20,23-25,27H,3,6-8,11-17H2,1-2,4-5H3/b21-9+,22-10-/t20-,23-,24-,25+,26-/m1/s1 |
| InChIKey | WSJLNURSHNNOOA-PAYBPRNDSA-N |
| Molecular Weight | 386.620 g/mol |
| SMILES | [C@]12([C@](\C(=C\C=C/3C(CC[C@](C3)(O)[H])=C)CCC1)(CC[C@@]2([C@@](CCOC(C)C)(C)[H])[H])[H])C |