| SpectraBase Spectrum ID |
9ZQmcqHyPU9 |
| Name |
5,8-Dihydroxy-2-[1'-(.beta.,.beta.-dimethylacryloyloxy)-4'-acetoxy-4'-methylpentyl]-1,4-naphthalenedione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.162767789 u |
| Formula |
C23H26O8 |
| InChI |
InChI=1S/C23H26O8/c1-12(2)10-19(28)30-18(8-9-23(4,5)31-13(3)24)14-11-17(27)20-15(25)6-7-16(26)21(20)22(14)29/h6-7,10-11,18,25-26H,8-9H2,1-5H3 |
| InChIKey |
VJQGQBYIBPXPDD-UHFFFAOYSA-N |
| Molecular Weight |
430.453 g/mol |
| SMILES |
C=1(C(C=2C(=CC=C(C2C(C1)=O)O)O)=O)C(OC(C=C(C)C)=O)CCC(OC(=O)C)(C)C |
![5,8-Dihydroxy-2-[1'-(.beta.,.beta.-dimethylacryloyloxy)-4'-acetoxy-4'-methylpentyl]-1,4-naphthalenedione](/api/spectrum/9ZQmcqHyPU9/structure.png?h=300&w=458 "5,8-Dihydroxy-2-[1'-(.beta.,.beta.-dimethylacryloyloxy)-4'-acetoxy-4'-methylpentyl]-1,4-naphthalenedione")
