| SpectraBase Compound ID | 2IV9YQoMjqe |
|---|---|
| InChI | InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21-18-29(31,26(30)32-6)17-16-27(21,4)25(22)14-15-28(23,24)5/h19-25,31H,7-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,27+,28-,29-/m1/s1 |
| InChIKey | MMJUVFHPHNSOFY-PHEUYXDDSA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C29H50O3 |
| Exact Mass | 446.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1TK25IC9M5e |
|---|---|
| Name | Methyl 3.alpha.-Hydroxy-5.alpha.-cholestane-3-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50O3 |
| InChI | InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21-18-29(31,26(30)32-6)17-16-27(21,4)25(22)14-15-28(23,24)5/h19-25,31H,7-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,27+,28-,29-/m1/s1 |
| InChIKey | MMJUVFHPHNSOFY-PHEUYXDDSA-N |
| Molecular Weight | 446.716 g/mol |
| SMILES | O[C@@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)C(=O)OC |
| SPLASH | splash10-000i-0009200000-18b786e6689fd4d95dcc |
| Source of Spectrum | J-56-4133-41 |
| Synonyms | Methyl (3alpha,5alpha)-3-hydroxycholestane-3-carboxylate |
| Wiley ID | 1386823 |