![CYANIDIN-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-[6-O-FERULOYL-BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GALACTOPYRANOSIDE](/api/spectrum/43DUWawRayX/structure.png?h=300&w=458 "CYANIDIN-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-[6-O-FERULOYL-BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GALACTOPYRANOSIDE")
| SpectraBase Compound ID | 87FeNoZBe6F |
|---|---|
| InChI | InChI=1S/C42H46O23/c1-57-26-8-16(2-5-21(26)45)3-7-30(49)58-14-28-32(51)34(53)37(56)40(63-28)60-15-29-33(52)35(54)39(65-41-36(55)31(50)24(48)13-59-41)42(64-29)62-27-12-19-22(46)10-18(43)11-25(19)61-38(27)17-4-6-20(44)23(47)9-17/h2-12,24,28-29,31-37,39-42,48,50-56H,13-15H2,1H3,(H4-,43,44,45,46,47,49)/p+1/t24-,28-,29-,31+,32-,33+,34+,35+,36-,37-,39-,40-,41+,42-/m1/s1 |
| InChIKey | MUQNMJSHMPEZCV-JHCRVGSQSA-O |
| Mol Weight | 919.8 g/mol |
| Molecular Formula | C42H47O23 |
| Exact Mass | 919.250813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43DUWawRayX |
|---|---|
| Name | CYANIDIN-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-[6-O-FERULOYL-BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H47O23 |
| InChI | InChI=1S/C42H46O23/c1-57-26-8-16(2-5-21(26)45)3-7-30(49)58-14-28-32(51)34(53)37(56)40(63-28)60-15-29-33(52)35(54)39(65-41-36(55)31(50)24(48)13-59-41)42(64-29)62-27-12-19-22(46)10-18(43)11-25(19)61-38(27)17-4-6-20(44)23(47)9-17/h2-12,24,28-29,31-37,39-42,48,50-56H,13-15H2,1H3,(H4-,43,44,45,46,47,49)/p+1/t24-,28-,29-,31+,32-,33+,34+,35+,36-,37-,39-,40-,41+,42-/m1/s1 |
| InChIKey | MUQNMJSHMPEZCV-JHCRVGSQSA-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 | 919.821 g/mol |
| Solvent | CD3OD:DCl |
| Source File Reference | UWVN5830 |