| SpectraBase Compound ID | JiUWPsJlvmy |
|---|---|
| InChI | InChI=1S/C27H42O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h6-7,11,17-18,20-24,28H,8-10,12-16H2,1-5H3/b11-6+/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | VMXMLOFNEQBYHM-INVHITAPSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C27H42O2 |
| Exact Mass | 398.318481 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 83ssT1XOnBd |
|---|---|
| Name | 3.beta.-Hydroxycholesta-5,22-dien-24-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O2 |
| InChI | InChI=1S/C27H42O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h6-7,11,17-18,20-24,28H,8-10,12-16H2,1-5H3/b11-6+/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | VMXMLOFNEQBYHM-INVHITAPSA-N |
| Molecular Weight | 398.631 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(C1)=CC[C@]1([C@@]3(CC[C@]([C@@](\C=C\C(C(C)C)=O)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)[H] |
| SPLASH | splash10-000t-0029000000-60ef9d10c66a732503ed |
| Source of Spectrum | X2-56-285-5 |
| Synonyms | (3beta,22E)-3-hydroxycholesta-5,22-dien-24-one |
| Wiley ID | 1604771 |