| SpectraBase Compound ID | 9ZGOcMrRSRu |
|---|---|
| InChI | InChI=1S/C32H34O20/c1-11(33)46-9-20-24(40)26(42)28(44)31(51-20)49-18-6-13(34)5-17-14(18)7-19(30(48-17)12-2-3-15(35)16(36)4-12)50-32-29(45)27(43)25(41)21(52-32)10-47-23(39)8-22(37)38/h2-7,20-21,24-29,31-32,40-45H,8-10H2,1H3,(H3-,34,35,36,37,38)/p+1/t20-,21-,24-,25-,26+,27+,28-,29-,31-,32-/m0/s1 |
| InChIKey | LDYJNPCHGAMBQZ-XSAOJNPVSA-O |
| Mol Weight | 739.6 g/mol |
| Molecular Formula | C32H35O20 |
| Exact Mass | 739.172169 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EW8MoAItSml |
|---|---|
| Name | PELARGONIDIN-3-O-(6-O-(MALONYL)-BETA-D-GLUCOPYRANOSIDE)-5-O-(6-O-(ACETYL)-BETA-D-GLUCOPYRANOSIDE) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H35O20 |
| InChI | InChI=1S/C32H34O20/c1-11(33)46-9-20-24(40)26(42)28(44)31(51-20)49-18-6-13(34)5-17-14(18)7-19(30(48-17)12-2-3-15(35)16(36)4-12)50-32-29(45)27(43)25(41)21(52-32)10-47-23(39)8-22(37)38/h2-7,20-21,24-29,31-32,40-45H,8-10H2,1H3,(H3-,34,35,36,37,38)/p+1/t20-,21-,24-,25-,26+,27+,28-,29-,31-,32-/m0/s1 |
| InChIKey | LDYJNPCHGAMBQZ-XSAOJNPVSA-O |
| Literature Reference Author | K.TOKI,N.SAITO,H.KUWANO,N.TERAHARA,T.HONDA |
| Literature Reference Citation | PHYTOCHEM.,38,515(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00698-S |
| Molecular Weight | 739.618 g/mol |
| Solvent | TFA-D1:DMSO-D6=9:1 |
| Source File Reference | UWMS4826 |