| SpectraBase Spectrum ID |
AviLMaaOF3a |
| Name |
[3,4,5-Trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl tiglate, 7ac derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
718.232029113 u |
| Formula |
C31H42O19 |
| InChI |
InChI=1S/C31H42O19/c1-10-13(2)29(39)41-12-22-24(43-16(5)34)26(45-18(7)36)28(47-20(9)38)31(49-22)50-30-27(46-19(8)37)25(44-17(6)35)23(42-15(4)33)21(48-30)11-40-14(3)32/h10,21-28,30-31H,11-12H2,1-9H3/b13-10+ |
| InChIKey |
KAEIXBZUMSGUFR-JLHYYAGUSA-N |
| Molecular Weight |
718.658 g/mol |
| SMILES |
C(\C(C)=C\C)(=O)OCC1OC(OC2OC(COC(=O)C)C(C(C2OC(=O)C)OC(=O)C)OC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C |
![[3,4,5-Trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl tiglate, 7ac derivative](/api/spectrum/AviLMaaOF3a/structure.png?h=300&w=458 "[3,4,5-Trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl tiglate, 7ac derivative")
