| SpectraBase Compound ID | BCA2eIUiscU |
|---|---|
| InChI | InChI=1S/C28H48O3/c1-18(2)7-6-8-19(3)23-13-14-24-22-12-10-20-9-11-21(31-5)17-28(20,26(29)30)25(22)15-16-27(23,24)4/h18-25H,6-17H2,1-5H3,(H,29,30) |
| InChIKey | LVDPLXKYSNFYLU-UHFFFAOYSA-N |
| Mol Weight | 432.7 g/mol |
| Molecular Formula | C28H48O3 |
| Exact Mass | 432.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1jx9ZMdZypJ |
|---|---|
| Name | 5.alpha.-Cholestan-19-oic acid, 2.beta.-methoxy- |
| CAS Registry Number | 24637-69-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O3 |
| InChI | InChI=1S/C28H48O3/c1-18(2)7-6-8-19(3)23-13-14-24-22-12-10-20-9-11-21(31-5)17-28(20,26(29)30)25(22)15-16-27(23,24)4/h18-25H,6-17H2,1-5H3,(H,29,30) |
| InChIKey | LVDPLXKYSNFYLU-UHFFFAOYSA-N |
| Molecular Weight | 432.689 g/mol |
| SMILES | OC(=O)C12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CCC2CCC(C1)OC |
| SPLASH | splash10-0a4i-0039500000-f2ad36de77a1831077d7 |
| Source of Spectrum | O-4-379-13 |
| Synonyms | 2-Methoxycholestan-19-oic acid 17-(1,5-dimethylhexyl)-2-methoxy-13-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-10-carboxylic acid 2-Methoxy-13-methyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-10-carboxylic acid |
| Wiley ID | 1382500 |