![PEONIDIN-3-O-[6-O-(E)-CAFFEOYL-[2-O-(6-O-(E)-CAFFELOYL)-BETA-D-GLUCOPYRANOSYL]-BETA-D-GLUCOPYRANOSIDE]](/api/spectrum/DxNS9JmRReP/structure.png?h=300&w=458 "PEONIDIN-3-O-[6-O-(E)-CAFFEOYL-[2-O-(6-O-(E)-CAFFELOYL)-BETA-D-GLUCOPYRANOSYL]-BETA-D-GLUCOPYRANOSIDE]")
| SpectraBase Compound ID | EaBc14safGN |
|---|---|
| InChI | InChI=1S/C46H44O22/c1-61-32-14-22(6-9-27(32)50)43-33(17-24-28(51)15-23(47)16-31(24)64-43)65-46-44(41(59)39(57)35(67-46)19-63-37(55)11-5-21-3-8-26(49)30(53)13-21)68-45-42(60)40(58)38(56)34(66-45)18-62-36(54)10-4-20-2-7-25(48)29(52)12-20/h2-17,34-35,38-42,44-46,56-60H,18-19H2,1H3,(H6-,47,48,49,50,51,52,53,54,55)/p+1/t34-,35-,38-,39-,40+,41+,42-,44-,45+,46-/m0/s1 |
| InChIKey | LCTXTSNSJTUZRU-HSJCGAKESA-O |
| Mol Weight | 949.8 g/mol |
| Molecular Formula | C46H45O22 |
| Exact Mass | 949.240248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DxNS9JmRReP |
|---|---|
| Name | PEONIDIN-3-O-[6-O-(E)-CAFFEOYL-[2-O-(6-O-(E)-CAFFELOYL)-BETA-D-GLUCOPYRANOSYL]-BETA-D-GLUCOPYRANOSIDE] |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H45O22 |
| InChI | InChI=1S/C46H44O22/c1-61-32-14-22(6-9-27(32)50)43-33(17-24-28(51)15-23(47)16-31(24)64-43)65-46-44(41(59)39(57)35(67-46)19-63-37(55)11-5-21-3-8-26(49)30(53)13-21)68-45-42(60)40(58)38(56)34(66-45)18-62-36(54)10-4-20-2-7-25(48)29(52)12-20/h2-17,34-35,38-42,44-46,56-60H,18-19H2,1H3,(H6-,47,48,49,50,51,52,53,54,55)/p+1/t34-,35-,38-,39-,40+,41+,42-,44-,45+,46-/m0/s1 |
| InChIKey | LCTXTSNSJTUZRU-HSJCGAKESA-O |
| Literature Reference Author | N.TERAHARA,T.MATSUI,K.MINODA,K.NASU,R.KIKUCHI,K.FUKUI,H.ONO, K.MATSUMOTO |
| Literature Reference Citation | J.AGR.FOOD.CHEM.,57,8331(2009) |
| Literature Reference DOI | 10.1021/jf901809p |
| Molecular Weight | 949.850 g/mol |
| Sample ID | 68142 |
| Solvent | DMSO-D6:CF3COOD=9:1 |