| SpectraBase Compound ID | KWrlJ1008CO |
|---|---|
| InChI | InChI=1S/C28H44O2/c1-17(2)8-7-9-18(3)21-10-11-22-25-19(4)26(30)24-16-20(29)12-14-28(24,6)23(25)13-15-27(21,22)5/h16-19,21-23,25H,7-15H2,1-6H3/t18-,19-,21-,22+,23+,25+,27-,28-/m1/s1 |
| InChIKey | ZNTOIIFPLKBVOP-NZWZMFORSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C28H44O2 |
| Exact Mass | 412.334131 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CpiSNTtOCUr |
|---|---|
| Name | 7.alpha.-Methyl-3-ethylenedioxycholest-4-en-3,6-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O2 |
| InChI | InChI=1S/C28H44O2/c1-17(2)8-7-9-18(3)21-10-11-22-25-19(4)26(30)24-16-20(29)12-14-28(24,6)23(25)13-15-27(21,22)5/h16-19,21-23,25H,7-15H2,1-6H3/t18-,19-,21-,22+,23+,25+,27-,28-/m1/s1 |
| InChIKey | ZNTOIIFPLKBVOP-NZWZMFORSA-N |
| Molecular Weight | 412.658 g/mol |
| SMILES | C=12[C@@]([C@]3(CC[C@]4([C@]([C@@]3([C@](C2=O)(C)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCC(C1)=O)C |
| SPLASH | splash10-001i-0009200000-8abf432d46eaf668b02d |
| Source of Spectrum | QC-9-1633-8 |
| Wiley ID | 870495 |