| SpectraBase Compound ID | BxwPgH3wezj |
|---|---|
| InChI | InChI=1S/C35H38O25/c36-11-3-17-12(18(4-11)57-34-29(49)28(48)26(46)21(60-34)9-55-33(53)16(40)6-22(41)42)5-19(31(56-17)10-1-13(37)24(44)14(38)2-10)58-35-30(50)27(47)25(45)20(59-35)8-54-23(43)7-15(39)32(51)52/h1-5,15-16,20-21,25-30,34-35,39-40,45-50H,6-9H2,(H5-,36,37,38,41,42,44,51,52)/p+1/t15?,16?,20-,21-,25-,26-,27+,28+,29-,30-,34-,35-/m1/s1 |
| InChIKey | VMWJQBKVQPUTLU-CBSAJVCUSA-O |
| Mol Weight | 859.7 g/mol |
| Molecular Formula | C35H39O25 |
| Exact Mass | 859.178042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3eesHACb3cq |
|---|---|
| Name | DELPHINIDIN-3-(6''-O-4-MALYL-GLUCOPYRANOSYL)-5-(6'''-O-1-MALYL-GLUCOPYRANOSIDE) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H39O25 |
| InChI | InChI=1S/C35H38O25/c36-11-3-17-12(18(4-11)57-34-29(49)28(48)26(46)21(60-34)9-55-33(53)16(40)6-22(41)42)5-19(31(56-17)10-1-13(37)24(44)14(38)2-10)58-35-30(50)27(47)25(45)20(59-35)8-54-23(43)7-15(39)32(51)52/h1-5,15-16,20-21,25-30,34-35,39-40,45-50H,6-9H2,(H5-,36,37,38,41,42,44,51,52)/p+1/t15?,16?,20-,21-,25-,26-,27+,28+,29-,30-,34-,35-/m1/s1 |
| InChIKey | VMWJQBKVQPUTLU-CBSAJVCUSA-O |
| Literature Reference Author | Y.FUKUI,Y.TANAKA,T.KUSUMI,T.IWASHITA,K.NOMOTO |
| Literature Reference Citation | PHYTOCHEM.,63,15(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00684-2 |
| Molecular Weight | 859.680 g/mol |
| Solvent | CD3OD:TFA-D=9:1 |
| Source File Reference | UWLU29672 |