| SpectraBase Compound ID | 98BhmTfZpsb |
|---|---|
| InChI | InChI=1S/C39H38O23/c40-12-23-29(51)32(54)36(60-26(49)6-2-14-1-4-17(42)19(44)7-14)38(58-23)62-37-33(55)30(52)24(13-56-27(50)11-25(47)48)59-39(37)61-35-31(53)28-21(46)9-16(41)10-22(28)57-34(35)15-3-5-18(43)20(45)8-15/h1-10,23-24,29-30,32-33,36-46,51-52,54-55H,11-13H2,(H,47,48)/b6-2+/t23-,24-,29-,30-,32+,33+,36-,37-,38+,39+/m1/s1 |
| InChIKey | GHQZDGVFTPXZGR-MSYNNDOSSA-N |
| Mol Weight | 874.7 g/mol |
| Molecular Formula | C39H38O23 |
| Exact Mass | 874.180387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5AVbvt9qYH8 |
|---|---|
| Name | QUERCETIN-3-O-(2-O-CAFFEOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-6-O-MALONYLGLUCOPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H38O23 |
| InChI | InChI=1S/C39H38O23/c40-12-23-29(51)32(54)36(60-26(49)6-2-14-1-4-17(42)19(44)7-14)38(58-23)62-37-33(55)30(52)24(13-56-27(50)11-25(47)48)59-39(37)61-35-31(53)28-21(46)9-16(41)10-22(28)57-34(35)15-3-5-18(43)20(45)8-15/h1-10,23-24,29-30,32-33,36-46,51-52,54-55H,11-13H2,(H,47,48)/b6-2+/t23-,24-,29-,30-,32+,33+,36-,37-,38+,39+/m1/s1 |
| InChIKey | GHQZDGVFTPXZGR-MSYNNDOSSA-N |
| Literature Reference Author | S.J.BLOOR,J.M.BRADLEY,D.H.LEWIS,K.M.DAVIES |
| Literature Reference Citation | PHYTOCHEM.,49,1427(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00081-8 |
| Molecular Weight | 874.717 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU597 |