![PEONIDIN-3-O-[6-O-(E)-CAFFEOYL-[2-O-(6-O-PARA-HYDROXYBENZOYL)-BETA-D-GLUCOPYRANOSYL]-BETA-D-GLUCOPYRANOSIDE]](/api/spectrum/9NYAEz5xygP/structure.png?h=300&w=458 "PEONIDIN-3-O-[6-O-(E)-CAFFEOYL-[2-O-(6-O-PARA-HYDROXYBENZOYL)-BETA-D-GLUCOPYRANOSYL]-BETA-D-GLUCOPYRANOSIDE]")
| SpectraBase Compound ID | 4rqlWDxxE3I |
|---|---|
| InChI | InChI=1S/C44H42O21/c1-58-30-13-21(6-10-26(30)48)40-31(16-24-27(49)14-23(46)15-29(24)61-40)62-44-41(38(55)36(53)32(64-44)17-59-34(51)11-3-19-2-9-25(47)28(50)12-19)65-43-39(56)37(54)35(52)33(63-43)18-60-42(57)20-4-7-22(45)8-5-20/h2-16,32-33,35-39,41,43-44,52-56H,17-18H2,1H3,(H5-,45,46,47,48,49,50,51,57)/p+1/t32-,33-,35-,36-,37+,38+,39-,41-,43+,44-/m1/s1 |
| InChIKey | UVLNWDZEDNAZEG-YCFOZOEWSA-O |
| Mol Weight | 907.8 g/mol |
| Molecular Formula | C44H43O21 |
| Exact Mass | 907.229683 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9NYAEz5xygP |
|---|---|
| Name | PEONIDIN-3-O-[6-O-(E)-CAFFEOYL-[2-O-(6-O-PARA-HYDROXYBENZOYL)-BETA-D-GLUCOPYRANOSYL]-BETA-D-GLUCOPYRANOSIDE] |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H43O21 |
| InChI | InChI=1S/C44H42O21/c1-58-30-13-21(6-10-26(30)48)40-31(16-24-27(49)14-23(46)15-29(24)61-40)62-44-41(38(55)36(53)32(64-44)17-59-34(51)11-3-19-2-9-25(47)28(50)12-19)65-43-39(56)37(54)35(52)33(63-43)18-60-42(57)20-4-7-22(45)8-5-20/h2-16,32-33,35-39,41,43-44,52-56H,17-18H2,1H3,(H5-,45,46,47,48,49,50,51,57)/p+1/t32-,33-,35-,36-,37+,38+,39-,41-,43+,44-/m1/s1 |
| InChIKey | UVLNWDZEDNAZEG-YCFOZOEWSA-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 | 907.813 g/mol |
| Sample ID | 68143 |
| Solvent | DMSO-D6:CF3COOD=9:1 |