| SpectraBase Compound ID | Cbcmw50Z3s |
|---|---|
| InChI | InChI=1S/C31H34O21/c32-7-18-22(39)24(41)26(43)30(51-18)49-16-4-10(33)3-15-11(16)5-17(28(48-15)9-1-12(34)21(38)13(35)2-9)50-31-27(44)25(42)23(40)19(52-31)8-47-20(37)6-14(36)29(45)46/h1-5,14,18-19,22-27,30-32,36,39-44H,6-8H2,(H4-,33,34,35,38,45,46)/p+1/t14?,18-,19-,22-,23-,24+,25+,26-,27-,30-,31-/m1/s1 |
| InChIKey | PHTJSTPAIIRNLP-QAGIGJJWSA-O |
| Mol Weight | 743.6 g/mol |
| Molecular Formula | C31H35O21 |
| Exact Mass | 743.167083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZfrHj7ValC |
|---|---|
| Name | DELPHINIDIN-3-(6''-O-4-MALYL-GLUCOPYRANOSYL)-5-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H35O21 |
| InChI | InChI=1S/C31H34O21/c32-7-18-22(39)24(41)26(43)30(51-18)49-16-4-10(33)3-15-11(16)5-17(28(48-15)9-1-12(34)21(38)13(35)2-9)50-31-27(44)25(42)23(40)19(52-31)8-47-20(37)6-14(36)29(45)46/h1-5,14,18-19,22-27,30-32,36,39-44H,6-8H2,(H4-,33,34,35,38,45,46)/p+1/t14?,18-,19-,22-,23-,24+,25+,26-,27-,30-,31-/m1/s1 |
| InChIKey | PHTJSTPAIIRNLP-QAGIGJJWSA-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 | 743.606 g/mol |
| Solvent | CD3OD:TFA-D=9:1 |
| Source File Reference | UWLU29670 |