| SpectraBase Compound ID | B3ncIxX4r0X |
|---|---|
| InChI | InChI=1S/C33H38O20/c1-33(47,8-19(37)38)9-20(39)48-11-18-23(41)26(44)28(46)32(52-18)53-30-24(42)21-15(36)6-14(49-31-27(45)25(43)22(40)17(10-34)51-31)7-16(21)50-29(30)12-2-4-13(35)5-3-12/h2-7,17-18,22-23,25-28,31-32,34-36,40-41,43-47H,8-11H2,1H3,(H,37,38)/t17-,18+,22-,23+,25+,26-,27-,28+,31-,32-,33?/m1/s1 |
| InChIKey | KNBPTHQAIKQFMM-ZHVIWCTOSA-N |
| Mol Weight | 754.6 g/mol |
| Molecular Formula | C33H38O20 |
| Exact Mass | 754.195644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3bm0YLhZiCz |
|---|---|
| Name | KAEMPFEROL-3-O-BETA-D-GLUCOPYRANOSIDE-6''-(3-HYDROXY-3-METHYL-GLUTARATE)-7-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H38O20 |
| InChI | InChI=1S/C33H38O20/c1-33(47,8-19(37)38)9-20(39)48-11-18-23(41)26(44)28(46)32(52-18)53-30-24(42)21-15(36)6-14(49-31-27(45)25(43)22(40)17(10-34)51-31)7-16(21)50-29(30)12-2-4-13(35)5-3-12/h2-7,17-18,22-23,25-28,31-32,34-36,40-41,43-47H,8-11H2,1H3,(H,37,38)/t17-,18+,22-,23+,25+,26-,27-,28+,31-,32-,33?/m1/s1 |
| InChIKey | KNBPTHQAIKQFMM-ZHVIWCTOSA-N |
| Literature Reference Author | M.A.BERHOW,R.D.BENNETT,S.M.POLING,S.VANNIER,T.HIDAKA,M.OMURA |
| Literature Reference Citation | PHYTOCHEM.,36,1225(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89641-7 |
| Molecular Weight | 754.653 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS26174 |