![KAEMPFEROL-3-O-BETA-[(6-O-MALONYL)-SOPHOROSIDE]-7-O-BETA-[(6-O-MALONYL)-GLUCOPYRANOSIDE](/api/spectrum/BDT2ngBAWol/structure.png?h=300&w=458 "KAEMPFEROL-3-O-BETA-[(6-O-MALONYL)-SOPHOROSIDE]-7-O-BETA-[(6-O-MALONYL)-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | htwsocpKDj |
|---|---|
| InChI | InChI=1S/C39H44O27/c40-9-17-25(49)29(53)33(57)38(62-17)66-36-31(55)27(51)19(11-59-23(48)8-21(45)46)64-39(36)65-35-28(52)24-15(42)5-14(6-16(24)61-34(35)12-1-3-13(41)4-2-12)60-37-32(56)30(54)26(50)18(63-37)10-58-22(47)7-20(43)44/h1-6,17-19,25-27,29-33,36-42,49-51,53-57H,7-11H2,(H,43,44)(H,45,46)/t17-,18+,19-,25-,26+,27-,29+,30-,31+,32+,33-,36-,37+,38+,39+/m0/s1 |
| InChIKey | QJWAQVXZFYGAGK-DSWZDVBSSA-N |
| Mol Weight | 944.8 g/mol |
| Molecular Formula | C39H44O27 |
| Exact Mass | 944.206996 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BDT2ngBAWol |
|---|---|
| Name | KAEMPFEROL-3-O-BETA-[(6-O-MALONYL)-SOPHOROSIDE]-7-O-BETA-[(6-O-MALONYL)-GLUCOPYRANOSIDE] |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H44O27 |
| InChI | InChI=1S/C39H44O27/c40-9-17-25(49)29(53)33(57)38(62-17)66-36-31(55)27(51)19(11-59-23(48)8-21(45)46)64-39(36)65-35-28(52)24-15(42)5-14(6-16(24)61-34(35)12-1-3-13(41)4-2-12)60-37-32(56)30(54)26(50)18(63-37)10-58-22(47)7-20(43)44/h1-6,17-19,25-27,29-33,36-42,49-51,53-57H,7-11H2,(H,43,44)(H,45,46)/t17-,18+,19-,25-,26+,27-,29+,30-,31+,32+,33-,36-,37+,38+,39+/m0/s1 |
| InChIKey | QJWAQVXZFYGAGK-DSWZDVBSSA-N |
| Literature Reference Author | W.SCHLIEMANN,B.SCHNEIDER,V.WRAY,J.SCHMIDT,M.NIMTZ,A.PORZEL,H .BOEHM |
| Literature Reference Citation | PHYTOCHEM.,67,191(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.11.002 |
| Molecular Weight | 944.762 g/mol |
| Sample ID | 66018 |
| Solvent | DMSO-D6 |