| SpectraBase Compound ID | 1LvvcGRZfNj |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h6,8,17-21,23-24,28-29H,7,9-16H2,1-5H3/b8-6+/t18-,19-,20+,21-,23+,24-,26+,27-/m1/s1 |
| InChIKey | AVFWODJEHWOSGS-XQCKDKCUSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Z3TfUA337Y |
|---|---|
| Name | 5.alpha.-Cholest-8(14),22-diene-3.beta.,7.alpha.-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.334130655 u |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h6,8,17-21,23-24,28-29H,7,9-16H2,1-5H3/b8-6+/t18-,19-,20+,21-,23+,24-,26+,27-/m1/s1 |
| InChIKey | AVFWODJEHWOSGS-XQCKDKCUSA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | [C@]1(CC[C@]2([C@](C1)(C[C@](C1=C3CC[C@]([C@@](\C=C\CC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])(O)[H])[H])C)(O)[H] |