![CYANIDIN-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-[6-O-(4-COUMAROYL)-BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GALACTOPYRANOSIDE](/api/spectrum/1zCoPjiT8Sl/structure.png?h=300&w=458 "CYANIDIN-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-[6-O-(4-COUMAROYL)-BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GALACTOPYRANOSIDE")
| SpectraBase Compound ID | 9S4utXctqcB |
|---|---|
| InChI | InChI=1S/C41H44O22/c42-18-5-1-16(2-6-18)3-8-29(48)56-14-27-31(50)33(52)36(55)39(61-27)58-15-28-32(51)34(53)38(63-40-35(54)30(49)24(47)13-57-40)41(62-28)60-26-12-20-22(45)10-19(43)11-25(20)59-37(26)17-4-7-21(44)23(46)9-17/h1-12,24,27-28,30-36,38-41,47,49-55H,13-15H2,(H4-,42,43,44,45,46,48)/p+1/t24-,27-,28-,30+,31-,32+,33+,34+,35-,36-,38-,39-,40+,41-/m1/s1 |
| InChIKey | AVYXHYMPVRRQIG-AHMSEWCKSA-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 | 1zCoPjiT8Sl |
|---|---|
| Name | CYANIDIN-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-[6-O-(4-COUMAROYL)-BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H45O22 |
| InChI | InChI=1S/C41H44O22/c42-18-5-1-16(2-6-18)3-8-29(48)56-14-27-31(50)33(52)36(55)39(61-27)58-15-28-32(51)34(53)38(63-40-35(54)30(49)24(47)13-57-40)41(62-28)60-26-12-20-22(45)10-19(43)11-25(20)59-37(26)17-4-7-21(44)23(46)9-17/h1-12,24,27-28,30-36,38-41,47,49-55H,13-15H2,(H4-,42,43,44,45,46,48)/p+1/t24-,27-,28-,30+,31-,32+,33+,34+,35-,36-,38-,39-,40+,41-/m1/s1 |
| InChIKey | AVYXHYMPVRRQIG-AHMSEWCKSA-O |
| Literature Reference Author | W.E.GLAESSGEN,V.WRAY,D.STRACK,J.W.METZGER,H.U.SEITZ |
| Literature Reference Citation | PHYTOCHEM.,31,1593(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83113-D |
| Molecular Weight | 889.795 g/mol |
| Solvent | CD3OD:DCl |
| Source File Reference | UWVN5831 |