![CYANIDIN-3-O-[6-O-(E-PARA-COUMAROYL)-2-O-(BETA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL]-5-O-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/D9LYZoBQGG1/structure.png?h=300&w=458 "CYANIDIN-3-O-[6-O-(E-PARA-COUMAROYL)-2-O-(BETA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL]-5-O-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | B49YMTPlWbn |
|---|---|
| InChI | InChI=1S/C41H44O22/c42-13-27-31(50)33(52)36(55)40(61-27)59-25-11-19(44)10-24-20(25)12-26(37(58-24)17-4-7-21(45)22(46)9-17)60-41-38(63-39-35(54)30(49)23(47)14-57-39)34(53)32(51)28(62-41)15-56-29(48)8-3-16-1-5-18(43)6-2-16/h1-12,23,27-28,30-36,38-42,47,49-55H,13-15H2,(H3-,43,44,45,46,48)/p+1/t23-,27-,28-,30+,31-,32-,33+,34+,35-,36-,38-,39+,40-,41-/m0/s1 |
| InChIKey | JSYDBTWJIIAZPU-LFLONEPBSA-O |
| Mol Weight | 889.8 g/mol |
| Molecular Formula | C41H45O22 |
| Exact Mass | 889.240248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D9LYZoBQGG1 |
|---|---|
| Name | CYANIDIN-3-O-[2-O-(BETA-D-XYLOPYRANOSYL)-6-O-(CIS-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSIDE]-5-O-(BETA-D-GLUCOPYRANOSIDE) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H45O22 |
| InChI | InChI=1S/C41H44O22/c42-13-27-31(50)33(52)36(55)40(61-27)59-25-11-19(44)10-24-20(25)12-26(37(58-24)17-4-7-21(45)22(46)9-17)60-41-38(63-39-35(54)30(49)23(47)14-57-39)34(53)32(51)28(62-41)15-56-29(48)8-3-16-1-5-18(43)6-2-16/h1-12,23,27-28,30-36,38-42,47,49-55H,13-15H2,(H3-,43,44,45,46,48)/p+1/t23-,27-,28-,30+,31-,32-,33+,34+,35-,36-,38-,39+,40-,41-/m0/s1 |
| InChIKey | JSYDBTWJIIAZPU-LFLONEPBSA-O |
| Literature Reference Author | F.TATSUZAWA,N.SAITO,K.SHINODA,A.SHIGIHARA,T.HONDA |
| Literature Reference Citation | PHYTOCHEM.,67,1287(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.05.001 |
| Molecular Weight | 889.795 g/mol |
| Sample ID | 67002 |
| Solvent | DMSO-D6:CF3COOD=9:1 |