| SpectraBase Compound ID | G8a9TxlyFgk |
|---|---|
| InChI | InChI=1S/C28H44O2/c1-18(8-7-15-26(3,4)30)21-11-12-23-20-9-10-22-19(2)25(29)14-17-28(22,6)24(20)13-16-27(21,23)5/h14,17-18,20-21,23-24,30H,7-13,15-16H2,1-6H3/t18-,20+,21-,23+,24+,27-,28+/m1/s1 |
| InChIKey | VDXPJVGZYNHROZ-ISLMWQBSSA-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 | CYkgFLHRnfg |
|---|---|
| Name | 4-Methyl-25-hydroxycholest-1,4-dien-3-one |
| Alternate Name(s) | 25-hydroxy-4-methylcholesta-1,4-dien-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O2 |
| InChI | InChI=1S/C28H44O2/c1-18(8-7-15-26(3,4)30)21-11-12-23-20-9-10-22-19(2)25(29)14-17-28(22,6)24(20)13-16-27(21,23)5/h14,17-18,20-21,23-24,30H,7-13,15-16H2,1-6H3/t18-,20+,21-,23+,24+,27-,28+/m1/s1 |
| InChIKey | VDXPJVGZYNHROZ-ISLMWQBSSA-N |
| Molecular Weight | 412.658 g/mol |
| SMILES | OC(CCC[C@]([C@]1(CC[C@]2([C@@]3(CCC4=C(C(C=C[C@@]4([C@]3(CC[C@]12C)[H])C)=O)C)[H])[H])[H])(C)[H])(C)C |
| SPLASH | splash10-0540-9303000000-e15825e558c56a29fc22 |
| Source of Spectrum | G-72-1329-16 |
| Wiley ID | 1587652 |