![4'-O-METHYL-ISOSCUTELLAREIN-7-O-[6'''-O-ACETYL-BETA-D-ALLOPYRANOSYL-(1->2)]-6''-O-ACETYL-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/KIcGJy0Pk8j/structure.png?h=300&w=458 "4'-O-METHYL-ISOSCUTELLAREIN-7-O-[6'''-O-ACETYL-BETA-D-ALLOPYRANOSYL-(1->2)]-6''-O-ACETYL-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | DMB1Y7DpXXu |
|---|---|
| InChI | InChI=1S/C32H36O18/c1-12(33)44-10-20-23(37)26(40)28(42)31(48-20)50-30-27(41)24(38)21(11-45-13(2)34)49-32(30)47-19-9-17(36)22-16(35)8-18(46-29(22)25(19)39)14-4-6-15(43-3)7-5-14/h4-9,20-21,23-24,26-28,30-32,36-42H,10-11H2,1-3H3/t20-,21-,23-,24-,26-,27+,28-,30-,31+,32-/m0/s1 |
| InChIKey | IQDPCQNHHMHGJX-RJICEORZSA-N |
| Mol Weight | 708.6 g/mol |
| Molecular Formula | C32H36O18 |
| Exact Mass | 708.190164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KIcGJy0Pk8j |
|---|---|
| Name | 4'-O-METHYL-ISOSCUTELLAREIN-7-O-[6'''-O-ACETYL-BETA-D-ALLOPYRANOSYL-(1->2)]-6''-O-ACETYL-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H36O18 |
| InChI | InChI=1S/C32H36O18/c1-12(33)44-10-20-23(37)26(40)28(42)31(48-20)50-30-27(41)24(38)21(11-45-13(2)34)49-32(30)47-19-9-17(36)22-16(35)8-18(46-29(22)25(19)39)14-4-6-15(43-3)7-5-14/h4-9,20-21,23-24,26-28,30-32,36-42H,10-11H2,1-3H3/t20-,21-,23-,24-,26-,27+,28-,30-,31+,32-/m0/s1 |
| InChIKey | IQDPCQNHHMHGJX-RJICEORZSA-N |
| Literature Reference Author | M.L.RODRIGUEZ-LYON,A.M.DIAZ-LANZA,M.BERNABE,L.VILLAESCUSA-CA STILLO |
| Literature Reference Citation | MAGN.RES.CHEM.,38,684(2000) |
| Literature Reference DOI | 10.1002/1097-458x(200008)38:8<684::aid-mrc683>3.0.co;2-g |
| Molecular Weight | 708.627 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI3424 |