| SpectraBase Spectrum ID |
883nB2oh3Ib |
| Name |
2-[13-(1,3-benzodioxol-5-yl)tridecanoyl]-3,6-dihydroxy-cyclohex-2-en-1-one |
| Appearance |
Colorless gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H36O6 |
| InChI |
InChI=1S/C26H36O6/c27-20(25-21(28)14-15-22(29)26(25)30)12-10-8-6-4-2-1-3-5-7-9-11-19-13-16-23-24(17-19)32-18-31-23/h13,16-17,22,28-29H,1-12,14-15,18H2 |
| InChIKey |
GKABSABUHJGUFL-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np070089n |
| Molecular Weight |
444.568 g/mol |
| Optical Rotation |
[a]D25 = -2.5 (c = 0.37, CHCl3) |
| Reported Formula |
C26H36O6 |
| SMILES |
OC1CCC(=C(C1=O)C(=O)CCCCCCCCCCCCc1ccc2c(c1)OCO2)O |
| SPLASH |
splash10-000f-0400900000-5f7cbceaceb4ff1e33a4 |
| Source of Spectrum |
G4-70-1001-3 |
| Wiley ID |
1874543 |
![4-HYDROXY-2-[(3,4-METHYLENEDIOXYPHENYL)-TRIDECANOYL]-CYCLOHEXANE-1,3-DIONE](/api/spectrum/883nB2oh3Ib/structure.png?h=300&w=458 "4-HYDROXY-2-[(3,4-METHYLENEDIOXYPHENYL)-TRIDECANOYL]-CYCLOHEXANE-1,3-DIONE")
