| SpectraBase Compound ID | 8sbu6wB2h72 |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-13-17-29(32-31)18-22(30)12-16-28(29,6)26(23)14-15-27(24,25)5/h13,17,20-26,30-31H,2,7-12,14-16,18H2,1,3-6H3/t20-,21?,22+,23+,24-,25+,26+,27-,28-,29-/m1/s1 |
| InChIKey | MUKFLVKMTBSLHF-LLCHATKXSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1sJsMJLPoWT |
|---|---|
| Name | 24-Ethyl-5.alpha.-hydroperoxycholesta-6,25-dien-3.beta.-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-13-17-29(32-31)18-22(30)12-16-28(29,6)26(23)14-15-27(24,25)5/h13,17,20-26,30-31H,2,7-12,14-16,18H2,1,3-6H3/t20-,21?,22+,23+,24-,25+,26+,27-,28-,29-/m1/s1 |
| InChIKey | MUKFLVKMTBSLHF-LLCHATKXSA-N |
| Molecular Weight | 444.700 g/mol |
| SMILES | OO[C@]12[C@](CC[C@@](C2)(O)[H])([C@]2(CC[C@@]3([C@](CC[C@]3([C@@]2(C=C1)[H])[H])([C@@](CCC(C(=C)C)CC)(C)[H])[H])C)[H])C |
| SPLASH | splash10-03fr-0032900000-4dfc76d4cf37972d531f |
| Source of Spectrum | G4-58-1525-3 |
| Synonyms | (3beta,5alpha)-5-hydroperoxystigmasta-6,25-dien-3-ol |
| Wiley ID | 1606036 |