| SpectraBase Spectrum ID |
2ONWmL7UliG |
| Name |
25-Acetoxy-cholest-4-ene-3,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H44O4 |
| InChI |
InChI=1S/C29H44O4/c1-18(8-7-13-27(3,4)33-19(2)30)22-9-10-23-21-17-26(32)25-16-20(31)11-14-29(25,6)24(21)12-15-28(22,23)5/h16,18,21-24H,7-15,17H2,1-6H3/t18-,21+,22-,23+,24+,28-,29-/m1/s1 |
| InChIKey |
SPTVELHWKVHYTP-CRQDDLFMSA-N |
| Molecular Weight |
456.667 g/mol |
| SMILES |
C1(CC[C@]2(C(=C1)C(C[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)(C)OC(=O)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)C)=O |
| SPLASH |
splash10-0006-9000000000-f1d61ff854263a4c1c74 |
| Source of Spectrum |
G-72-1327-12 |
| Synonyms |
3,6-Dioxocholest-4-en-25-yl acetate |
| Wiley ID |
1587656 |
