![4-O-[BETA-D-APIOFURANOSYL-(1'''->2'')-BETA-D-GLUCOPYRANOSYL]-4'-O-BETA-D-GLUCOPYRANOSYL-ISOLIQUIRITIGENIN](/api/spectrum/JZelC8pB2ux/structure.png?h=300&w=458 "4-O-[BETA-D-APIOFURANOSYL-(1'''->2'')-BETA-D-GLUCOPYRANOSYL]-4'-O-BETA-D-GLUCOPYRANOSYL-ISOLIQUIRITIGENIN")
| SpectraBase Compound ID | DZ3fqN5MHOM |
|---|---|
| InChI | InChI=1S/C32H40O18/c33-10-20-22(38)24(40)26(42)29(48-20)47-16-6-7-17(19(37)9-16)18(36)8-3-14-1-4-15(5-2-14)46-30-27(25(41)23(39)21(11-34)49-30)50-31-28(43)32(44,12-35)13-45-31/h1-9,20-31,33-35,37-44H,10-13H2/b8-3+/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29-,30+,31-,32+/m0/s1 |
| InChIKey | FYJCXNYYSACEJK-DGUASZCXSA-N |
| Mol Weight | 712.7 g/mol |
| Molecular Formula | C32H40O18 |
| Exact Mass | 712.221464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZelC8pB2ux |
|---|---|
| Name | 4-O-[BETA-D-APIOFURANOSYL-(1'''->2'')-BETA-D-GLUCOPYRANOSYL]-4'-O-BETA-D-GLUCOPYRANOSYL-ISOLIQUIRITIGENIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H40O18 |
| InChI | InChI=1S/C32H40O18/c33-10-20-22(38)24(40)26(42)29(48-20)47-16-6-7-17(19(37)9-16)18(36)8-3-14-1-4-15(5-2-14)46-30-27(25(41)23(39)21(11-34)49-30)50-31-28(43)32(44,12-35)13-45-31/h1-9,20-31,33-35,37-44H,10-13H2/b8-3+/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29-,30+,31-,32+/m0/s1 |
| InChIKey | FYJCXNYYSACEJK-DGUASZCXSA-N |
| Literature Reference Author | I.KITAGAWA,W.Z.CHEN,K.HORI,M.KOBAYASHI,J.REN |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1511(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1511 |
| Molecular Weight | 712.659 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS20588 |