| SpectraBase Compound ID | 5FrBAfzR1Ku |
|---|---|
| InChI | InChI=1S/C31H32O20/c32-10-3-15-11-5-17(28(47-15)9-1-12(33)21(37)13(34)2-9)49-31-27(43)24(40)22(38)18(50-31)7-45-20(36)6-14(35)29(44)46-8-19-23(39)25(41)26(42)30(51-19)48-16(11)4-10/h1-5,14,18-19,22-27,30-31,35,38-43H,6-8H2,(H3-,32,33,34,37)/p+1/t14?,18-,19+,22-,23+,24+,25-,26+,27-,30+,31-/m1/s1 |
| InChIKey | LGNIUXIDANCKFR-OIMOHLJKSA-O |
| Mol Weight | 725.6 g/mol |
| Molecular Formula | C31H33O20 |
| Exact Mass | 725.156518 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fc3A2mb9zyd |
|---|---|
| Name | DELPHINIDIN-3,5-DIGLUCOPYRANOSIDE-6''-O-4,6'''-O-1-CYCLIC-MALYL-DIESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H33O20 |
| InChI | InChI=1S/C31H32O20/c32-10-3-15-11-5-17(28(47-15)9-1-12(33)21(37)13(34)2-9)49-31-27(43)24(40)22(38)18(50-31)7-45-20(36)6-14(35)29(44)46-8-19-23(39)25(41)26(42)30(51-19)48-16(11)4-10/h1-5,14,18-19,22-27,30-31,35,38-43H,6-8H2,(H3-,32,33,34,37)/p+1/t14?,18-,19+,22-,23+,24+,25-,26+,27-,30+,31-/m1/s1 |
| InChIKey | LGNIUXIDANCKFR-OIMOHLJKSA-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 | 725.591 g/mol |
| Solvent | CD3OD:TFA-D=9:1 |
| Source File Reference | UWLU29671 |