![CYANIDIN-3-O-[2-O-(BETA-D-XYLOPYRANOSYL)-6-O-(TRANS-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSIDE]-5-O-[6-O-(MALONYL)-BETA-D-GLUCOPYRANOSIDE]](/api/spectrum/D60YUXaE15N/structure.png?h=300&w=458 "CYANIDIN-3-O-[2-O-(BETA-D-XYLOPYRANOSYL)-6-O-(TRANS-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSIDE]-5-O-[6-O-(MALONYL)-BETA-D-GLUCOPYRANOSIDE]")
| SpectraBase Compound ID | Blk8s8YCT2X |
|---|---|
| InChI | InChI=1S/C44H46O25/c45-19-5-1-17(2-6-19)3-8-31(52)61-15-29-35(56)37(58)41(69-42-38(59)33(54)24(49)14-63-42)44(68-29)66-27-12-21-25(64-40(27)18-4-7-22(47)23(48)9-18)10-20(46)11-26(21)65-43-39(60)36(57)34(55)28(67-43)16-62-32(53)13-30(50)51/h1-12,24,28-29,33-39,41-44,49,54-60H,13-16H2,(H4-,45,46,47,48,50,51,52)/p+1/t24-,28-,29-,33+,34-,35-,36+,37+,38-,39-,41-,42+,43-,44-/m0/s1 |
| InChIKey | JKGXHHXZZLNEGD-WPCDPEITSA-O |
| Mol Weight | 975.8 g/mol |
| Molecular Formula | C44H47O25 |
| Exact Mass | 975.240642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D60YUXaE15N |
|---|---|
| Name | CYANIDIN-3-O-[2-O-(BETA-D-XYLOPYRANOSYL)-6-O-(TRANS-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSIDE]-5-O-[6-O-(MALONYL)-BETA-D-GLUCOPYRANOSIDE] |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H47O25 |
| InChI | InChI=1S/C44H46O25/c45-19-5-1-17(2-6-19)3-8-31(52)61-15-29-35(56)37(58)41(69-42-38(59)33(54)24(49)14-63-42)44(68-29)66-27-12-21-25(64-40(27)18-4-7-22(47)23(48)9-18)10-20(46)11-26(21)65-43-39(60)36(57)34(55)28(67-43)16-62-32(53)13-30(50)51/h1-12,24,28-29,33-39,41-44,49,54-60H,13-16H2,(H4-,45,46,47,48,50,51,52)/p+1/t24-,28-,29-,33+,34-,35-,36+,37+,38-,39-,41-,42+,43-,44-/m0/s1 |
| InChIKey | JKGXHHXZZLNEGD-WPCDPEITSA-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 | 975.842 g/mol |
| Sample ID | 67003 |
| Solvent | DMSO-D6:CF3COOD=9:1 |