| SpectraBase Compound ID | 1OA9csaD4d7 |
|---|---|
| InChI | InChI=1S/C32H54O2/c1-20(2)26(21(3)4)11-9-22(5)28-13-14-29-27-12-10-24-19-25(34-23(6)33)15-17-31(24,7)30(27)16-18-32(28,29)8/h9,11,20-22,24-30H,10,12-19H2,1-8H3/b11-9-/t22-,24+,25+,27+,28-,29+,30+,31+,32-/m1/s1 |
| InChIKey | ULXJNNDIVWMXQR-BWOXLHSSSA-N |
| Mol Weight | 470.8 g/mol |
| Molecular Formula | C32H54O2 |
| Exact Mass | 470.412381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4X3jQpP2BMp |
|---|---|
| Name | 24-Isopropyl-5.alpha.-cholest-22(Z)-en-3.beta.-ol - acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.412380977 u |
| Formula | C32H54O2 |
| InChI | InChI=1S/C32H54O2/c1-20(2)26(21(3)4)11-9-22(5)28-13-14-29-27-12-10-24-19-25(34-23(6)33)15-17-31(24,7)30(27)16-18-32(28,29)8/h9,11,20-22,24-30H,10,12-19H2,1-8H3/b11-9-/t22-,24+,25+,27+,28-,29+,30+,31+,32-/m1/s1 |
| InChIKey | ULXJNNDIVWMXQR-BWOXLHSSSA-N |
| Molecular Weight | 470.782 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](\C=C/C(C(C)C)C(C)C)(C)[H])[H])[H])C |