![3'-Prenyl-4'-methoxy-isoflavone-7-O-.beta.-D-[2"-(p-coumaroyl)glucopyranoside]](/api/spectrum/C1ftwQkz9gz/structure.png?h=300&w=458 "3'-Prenyl-4'-methoxy-isoflavone-7-O-.beta.-D-[2\"-(p-coumaroyl)glucopyranoside]")
| SpectraBase Compound ID | Kcbb5SgwGCJ |
|---|---|
| InChI | InChI=1S/C36H36O11/c1-19(2)8-9-21-14-20(10-13-26(21)42-3)25-18-43-28-15-22(11-12-24(28)32(25)39)44-36-35(34(41)33(40)30(17-37)47-36)46-29-16-31(38)45-27-7-5-4-6-23(27)29/h4-8,10-15,18,29-30,33-37,40-41H,9,16-17H2,1-3H3/t29?,30-,33-,34+,35-,36-/m1/s1 |
| InChIKey | UZSUSXNCIXOVCL-VQAUUSRBSA-N |
| Mol Weight | 644.7 g/mol |
| Molecular Formula | C36H36O11 |
| Exact Mass | 644.225762 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C1ftwQkz9gz |
|---|---|
| Name | 3'-Prenyl-4'-methoxy-isoflavone-7-O-.beta.-D-[2"-(p-coumaroyl)glucopyranoside] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H36O11 |
| InChI | InChI=1S/C36H36O11/c1-19(2)8-9-21-14-20(10-13-26(21)42-3)25-18-43-28-15-22(11-12-24(28)32(25)39)44-36-35(34(41)33(40)30(17-37)47-36)46-29-16-31(38)45-27-7-5-4-6-23(27)29/h4-8,10-15,18,29-30,33-37,40-41H,9,16-17H2,1-3H3/t29?,30-,33-,34+,35-,36-/m1/s1 |
| InChIKey | UZSUSXNCIXOVCL-VQAUUSRBSA-N |
| Molecular Weight | 644.673 g/mol |
| SMILES | O[C@]1([C@@]([C@@](CO)(O[C@]([C@@]1(OC1CC(=O)Oc2c1cccc2)[H])(Oc1cc2OC=C(C(c2cc1)=O)c1cc(CC=C(C)C)c(cc1)OC)[H])[H])(O)[H])[H] |
| SPLASH | splash10-000i-0559100000-8631bb0ad6f76d1f0b7e |
| Source of Spectrum | X2-53-63-1 |
| Wiley ID | 1603399 |