| SpectraBase Compound ID | DLbn3ZcpIif |
|---|---|
| InChI | InChI=1S/C28H30O17/c1-40-15-4-9(2-3-11(15)30)14-7-13(32)18-12(31)5-10(6-16(18)42-14)41-28-25(21(35)19(33)17(8-29)43-28)45-27-23(37)20(34)22(36)24(44-27)26(38)39/h2-7,17,19-25,27-31,33-37H,8H2,1H3,(H,38,39)/t17-,19-,20+,21+,22+,23-,24+,25-,27+,28-/m1/s1 |
| InChIKey | PNHGTHGNROOTDD-NDAVQDCPSA-N |
| Mol Weight | 638.53 g/mol |
| Molecular Formula | C28H30O17 |
| Exact Mass | 638.148299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CcDwoAumCXG |
|---|---|
| Name | CHRYSOERIOL_7-O-BETA-D-GLUCOPYRANOSIDURONIC_ACID-(1->2)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H30O17 |
| InChI | InChI=1S/C28H30O17/c1-40-15-4-9(2-3-11(15)30)14-7-13(32)18-12(31)5-10(6-16(18)42-14)41-28-25(21(35)19(33)17(8-29)43-28)45-27-23(37)20(34)22(36)24(44-27)26(38)39/h2-7,17,19-25,27-31,33-37H,8H2,1H3,(H,38,39)/t17-,19-,20+,21+,22+,23-,24+,25-,27+,28-/m1/s1 |
| InChIKey | PNHGTHGNROOTDD-NDAVQDCPSA-N |
| Literature Reference Author | J.CONRAD,B.FOERSTER-FROMME,M.A.CONSTANTIN,V.ONDRUS,S.MIKA,F. MERT-BALCI,I.KLAIBER |
| Literature Reference Citation | J.NAT.PROD.,72,835(2009) |
| Literature Reference DOI | 10.1021/np800769g |
| Molecular Weight | 638.536 g/mol |
| Sample ID | 32527 |
| Solvent | DMSO-D6:TFA |