| SpectraBase Compound ID | 8X11n7REd4V |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h6,12,15,17,20-24,29-30H,7-11,13-14,16H2,1-5H3/b12-6+/t17-,20-,21+,22+,23+,24+,26+,27-/m1/s1 |
| InChIKey | OAIGYEIFAMPUQW-ZZYOFTQWSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GapMBBnjKHR |
|---|---|
| Name | 7.beta.,25-Dihydroxycholesta-4,23-dien-3-one |
| Alternate Name(s) | (7beta,23E)-7,25-dihydroxycholesta-4,23-dien-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h6,12,15,17,20-24,29-30H,7-11,13-14,16H2,1-5H3/b12-6+/t17-,20-,21+,22+,23+,24+,26+,27-/m1/s1 |
| InChIKey | OAIGYEIFAMPUQW-ZZYOFTQWSA-N |
| Molecular Weight | 414.630 g/mol |
| SMILES | OC(\C=C\C[C@]([C@]1(CC[C@]2([C@]3([C@@]([C@]4(CCC(C=C4C[C@@]3(O)[H])=O)C)(CC[C@]12C)[H])[H])[H])[H])(C)[H])(C)C |
| SPLASH | splash10-0006-9020000000-9a78292ecfe962fd51fd |
| Source of Spectrum | G4-60-903-6 |
| Wiley ID | 1606815 |