| SpectraBase Compound ID | CNFWoYcdCOs |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-16(2)24(29)9-6-17(3)20-7-8-21-19-15-25(30)23-14-18(28)10-12-27(23,5)22(19)11-13-26(20,21)4/h15,17-18,20-23,25,28,30H,1,6-14H2,2-5H3/t17-,18+,20-,21+,22+,23-,25+,26-,27-/m1/s1 |
| InChIKey | YBWSXAUKFPZART-ORIAKGNISA-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 | E8pR22M5nnF |
|---|---|
| Name | 24-Keto-5.alpha.-cholesta-7,25(26)-diene-3.beta.,6.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(2)24(29)9-6-17(3)20-7-8-21-19-15-25(30)23-14-18(28)10-12-27(23,5)22(19)11-13-26(20,21)4/h15,17-18,20-23,25,28,30H,1,6-14H2,2-5H3/t17-,18+,20-,21+,22+,23-,25+,26-,27-/m1/s1 |
| InChIKey | YBWSXAUKFPZART-ORIAKGNISA-N |
| Molecular Weight | 414.630 g/mol |
| SMILES | [C@]1(CC[C@]2([C@](C1)([C@](C=C1[C@@]3(CC[C@]([C@@](CCC(C(=C)C)=O)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])(O)[H])[H])C)(O)[H] |