| SpectraBase Compound ID | JZ1lTh67TAM |
|---|---|
| InChI | InChI=1S/C39H50O27/c40-6-18-23(46)27(50)31(54)36(63-18)58-11-3-13(44)12-5-17(62-39-34(57)30(53)26(49)21(9-43)66-39)35(59-14(12)4-11)10-1-15(60-37-32(55)28(51)24(47)19(7-41)64-37)22(45)16(2-10)61-38-33(56)29(52)25(48)20(8-42)65-38/h1-5,18-21,23-34,36-43,46-57H,6-9H2,(H-,44,45)/p+1/t18-,19-,20-,21+,23-,24-,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,36-,37-,38-,39+/m0/s1 |
| InChIKey | IFYFGFRTBXJCAP-YCPAFARXSA-O |
| Mol Weight | 951.8 g/mol |
| Molecular Formula | C39H51O27 |
| Exact Mass | 951.261771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | VhBaCgpHWV |
|---|---|
| Name | DELPHINIDIN-3,7,3',5'-TETRA-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H51O27 |
| InChI | InChI=1S/C39H50O27/c40-6-18-23(46)27(50)31(54)36(63-18)58-11-3-13(44)12-5-17(62-39-34(57)30(53)26(49)21(9-43)66-39)35(59-14(12)4-11)10-1-15(60-37-32(55)28(51)24(47)19(7-41)64-37)22(45)16(2-10)61-38-33(56)29(52)25(48)20(8-42)65-38/h1-5,18-21,23-34,36-43,46-57H,6-9H2,(H-,44,45)/p+1/t18-,19-,20-,21+,23-,24-,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,36-,37-,38-,39+/m0/s1 |
| InChIKey | IFYFGFRTBXJCAP-YCPAFARXSA-O |
| Literature Reference Author | S.J.BLOOR |
| Literature Reference Citation | PHYTOCHEM.,58,923(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00343-0 |
| Molecular Weight | 951.818 g/mol |
| Solvent | CD3OD:CF3COOD=98:2 |