| SpectraBase Spectrum ID |
5ciw9qtaaFq |
| Name |
[(2',2'-Dimethylpropionyl)oxymethyl](S)-2-[.alpha.,3,8-Trimethylazulen-5-yl]acetate |
| Alternate Name(s) |
[(pivaloyl)oxymethyl]ester of chamazulene carboxylic acid
2,2-Dimethylpropanoic acid [(2S)-2-(3,8-dimethyl-5-azulenyl)-1-oxopropoxy]methyl ester
[(2S)-2-(3,8-dimethylazulen-5-yl)propanoyl]oxymethyl 2,2-dimethylpropanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O4 |
| InChI |
InChI=1S/C21H26O4/c1-13-7-9-16(11-18-14(2)8-10-17(13)18)15(3)19(22)24-12-25-20(23)21(4,5)6/h7-11,15H,12H2,1-6H3/t15-/m0/s1 |
| InChIKey |
XHCYTHOYYSWUAS-HNNXBMFYSA-N |
| Molecular Weight |
342.435 g/mol |
| SMILES |
c12c(ccc2C)c(ccc(c1)[C@@](C(OCOC(C(C)(C)C)=O)=O)(C)[H])C |
| SPLASH |
splash10-000x-0509000000-949d4209b3fd2c290698 |
| Source of Spectrum |
G4-69-1044-9 |
| Wiley ID |
1694443 |
-2-[.alpha.,3,8-Trimethylazulen-5-yl]acetate](/api/spectrum/5ciw9qtaaFq/structure.png?h=300&w=458 "[(2',2'-Dimethylpropionyl)oxymethyl](S)-2-[.alpha.,3,8-Trimethylazulen-5-yl]acetate")
