| SpectraBase Compound ID | BoEqEf4Z62H |
|---|---|
| InChI | InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | XUGISPSHIFXEHZ-VEVYEIKRSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C29H48O2 |
| Exact Mass | 428.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AeyuniNUnK |
|---|---|
| Name | O-acetyl cholesterol |
| Appearance | White powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O2 |
| InChI | InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | XUGISPSHIFXEHZ-VEVYEIKRSA-N |
| Instrument Name | GC-MS |
| Ionization Type | EI |
| Literature Reference DOI | 10.3762/bjoc.12.214 |
| Molecular Weight | 428.701 g/mol |
| SMILES | C1[C@](OC(=O)C)(CC2=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@](CCCC(C)C)(C)[H])[C@@]4(C)CC[C@]3([H])[C@@]2(C)C1)[H] |
| SPLASH | splash10-00l2-5911000000-a23a1dd8b77d974a7bfb |
| Source of Spectrum | BJO-12-SM8-3a |
| Wiley ID | 1851759 |