![Cholest-2-eno[2,3-d]oxazole, 2'-methyl-](/api/spectrum/7S8LkuovG2h/structure.png?h=300&w=458 "Cholest-2-eno[2,3-d]oxazole, 2'-methyl-")
| SpectraBase Compound ID | Ce8WJibfUQb |
|---|---|
| InChI | InChI=1S/C29H47NO/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-21-16-27-26(30-20(4)31-27)17-29(21,6)25(22)14-15-28(23,24)5/h18-19,21-25H,7-17H2,1-6H3/t19-,21?,22+,23-,24+,25+,28-,29+/m1/s1 |
| InChIKey | IJMZZWGKGFMZLA-VIWGLCJKSA-N |
| Mol Weight | 425.7 g/mol |
| Molecular Formula | C29H47NO |
| Exact Mass | 425.365765 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7S8LkuovG2h |
|---|---|
| Name | Cholest-2-eno[2,3-d]oxazole, 2'-methyl- |
| Alternate Name(s) | (1R,3aS,3bR,10aS,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-8,10a,12a-trimethyl-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d][1,3]oxazole 1H-cyclopenta[7,8]phenanthro[3,2-d]oxazole, cholest-2-eno[2,3-d]oxazole deriv. Cholest-2-eno-[2,3-d]2'-methyloxazol |
| CAS Registry Number | 60761-58-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H47NO |
| InChI | InChI=1S/C29H47NO/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-21-16-27-26(30-20(4)31-27)17-29(21,6)25(22)14-15-28(23,24)5/h18-19,21-25H,7-17H2,1-6H3/t19-,21?,22+,23-,24+,25+,28-,29+/m1/s1 |
| InChIKey | IJMZZWGKGFMZLA-VIWGLCJKSA-N |
| Molecular Weight | 425.701 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CCC2Cc2oc(nc2C1)C)[H])C |
| SPLASH | splash10-004i-0010900000-1cb05896706f1835cc3d |
| Source of Spectrum | F-32-1291-0 |
| Wiley ID | 1379717 |