![PEONIDIN-3-O-[6-O-(E)-CAFFEOYL-[2-O-(6-O-(E)-FERULOYL)-BETA-D-GLUCOPYRANOSYL]-BETA-D-GLUCOPYRANOSIDE]](/api/spectrum/KAfwKCinNX1/structure.png?h=300&w=458 "PEONIDIN-3-O-[6-O-(E)-CAFFEOYL-[2-O-(6-O-(E)-FERULOYL)-BETA-D-GLUCOPYRANOSYL]-BETA-D-GLUCOPYRANOSIDE]")
| SpectraBase Compound ID | 10wcGrqUsXq |
|---|---|
| InChI | InChI=1S/C47H46O22/c1-61-32-14-22(4-9-27(32)50)6-12-38(55)63-19-35-39(56)41(58)43(60)46(67-35)69-45-42(59)40(57)36(20-64-37(54)11-5-21-3-8-26(49)30(53)13-21)68-47(45)66-34-18-25-29(52)16-24(48)17-31(25)65-44(34)23-7-10-28(51)33(15-23)62-2/h3-18,35-36,39-43,45-47,56-60H,19-20H2,1-2H3,(H5-,48,49,50,51,52,53,54,55)/p+1/t35-,36-,39-,40-,41+,42+,43-,45-,46+,47-/m1/s1 |
| InChIKey | NPRSPIDIKGELPL-VYVHCRNHSA-O |
| Mol Weight | 963.9 g/mol |
| Molecular Formula | C47H47O22 |
| Exact Mass | 963.255898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KAfwKCinNX1 |
|---|---|
| Name | PEONIDIN-3-O-[6-O-(E)-CAFFEOYL-[2-O-(6-O-(E)-FERULOYL)-BETA-D-GLUCOPYRANOSYL]-BETA-D-GLUCOPYRANOSIDE] |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H47O22 |
| InChI | InChI=1S/C47H46O22/c1-61-32-14-22(4-9-27(32)50)6-12-38(55)63-19-35-39(56)41(58)43(60)46(67-35)69-45-42(59)40(57)36(20-64-37(54)11-5-21-3-8-26(49)30(53)13-21)68-47(45)66-34-18-25-29(52)16-24(48)17-31(25)65-44(34)23-7-10-28(51)33(15-23)62-2/h3-18,35-36,39-43,45-47,56-60H,19-20H2,1-2H3,(H5-,48,49,50,51,52,53,54,55)/p+1/t35-,36-,39-,40-,41+,42+,43-,45-,46+,47-/m1/s1 |
| InChIKey | NPRSPIDIKGELPL-VYVHCRNHSA-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 | 963.877 g/mol |
| Sample ID | 68144 |
| Solvent | DMSO-D6:CF3COOD=9:1 |