| SpectraBase Compound ID | J1S3mJz1Vts |
|---|---|
| InChI | InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)23-16(7-13-14(27)5-12(26)6-15(13)35-23)36-24-22(33)21(32)20(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,20-22,24,31-33H,8-9H2,(H3-,25,26,27,28,29)/p+1/t17-,20-,21+,22-,24-/m1/s1 |
| InChIKey | XLZUBCUKXQFBKB-JZWLZXDTSA-O |
| Mol Weight | 519.44 g/mol |
| Molecular Formula | C24H23O13 |
| Exact Mass | 519.113866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOZk7d9YNyz |
|---|---|
| Name | PELARGONIDIN-3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSIDE) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H23O13 |
| InChI | InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)23-16(7-13-14(27)5-12(26)6-15(13)35-23)36-24-22(33)21(32)20(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,20-22,24,31-33H,8-9H2,(H3-,25,26,27,28,29)/p+1/t17-,20-,21+,22-,24-/m1/s1 |
| InChIKey | XLZUBCUKXQFBKB-JZWLZXDTSA-O |
| Literature Reference Author | K.TOKI,N.SAITO,H.KUWANO,A.SHIGIHARA,T.HONDA |
| Literature Reference Citation | PHYTOCHEM.,38,1509(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00838-K |
| Molecular Weight | 519.439 g/mol |
| Solvent | DMSO-D6:CF3CO2D=9:1 |
| Source File Reference | UWMS4079 |