| SpectraBase Compound ID | 8u7kV6R2EaQ |
|---|---|
| InChI | InChI=1S/C29H50O4/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(31)29(32)17-21(33-20(4)30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26,31-32H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26?,27-,28-,29+/m1/s1 |
| InChIKey | VOKRVQWGBJYQCH-VAGNNZMFSA-N |
| Mol Weight | 462.7 g/mol |
| Molecular Formula | C29H50O4 |
| Exact Mass | 462.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 16NlLkcIYi |
|---|---|
| Name | Cholestan-5.alpha.-6(.alpha.,.beta.)-diol-3.beta.-acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50O4 |
| InChI | InChI=1S/C29H50O4/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(31)29(32)17-21(33-20(4)30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26,31-32H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26?,27-,28-,29+/m1/s1 |
| InChIKey | VOKRVQWGBJYQCH-VAGNNZMFSA-N |
| Instrument Name | Varian 3400-Varian Saturn |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002_1097-0231(20000730)14_14_1275 |
| Molecular Weight | 462.715 g/mol |
| SMILES | OC1C[C@@]2([C@@]([C@@]3([C@@]1(C[C@](CC3)(OC(C)=O)[H])O)C)(CC[C@]1([C@]2(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])[H] |
| SPLASH | splash10-00l6-9348100000-4cb294b1c91c1daa62e2 |
| Source of Spectrum | RCM-14-1278-Fig .7 |
| Wiley ID | 1839097 |