| SpectraBase Compound ID | 6vH1OL47UXv |
|---|---|
| InChI | InChI=1S/C29H36O16/c30-11-19-22(36)24(38)25(39)28(43-19)42-12-20-23(37)27(45-21(35)6-3-13-1-4-15(31)17(33)9-13)26(40)29(44-20)41-8-7-14-2-5-16(32)18(34)10-14/h1-6,9-10,19-20,22-34,36-40H,7-8,11-12H2/b6-3+/t19-,20+,22-,23+,24+,25-,26+,27-,28-,29+/m1/s1 |
| InChIKey | JOIWQICOBJLMOP-LMGLLUNTSA-N |
| Mol Weight | 640.6 g/mol |
| Molecular Formula | C29H36O16 |
| Exact Mass | 640.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5li0QGRY2R0 |
|---|---|
| Name | ISOLUGRANDOSIDE;2-(3,4-DIHYDROXYPHENYL)-ETHYL-O-BETA-D-GLUCOPYRANOSYL-(1->6)-3-O-TRANS-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O16 |
| InChI | InChI=1S/C29H36O16/c30-11-19-22(36)24(38)25(39)28(43-19)42-12-20-23(37)27(45-21(35)6-3-13-1-4-15(31)17(33)9-13)26(40)29(44-20)41-8-7-14-2-5-16(32)18(34)10-14/h1-6,9-10,19-20,22-34,36-40H,7-8,11-12H2/b6-3+/t19-,20+,22-,23+,24+,25-,26+,27-,28-,29+/m1/s1 |
| InChIKey | JOIWQICOBJLMOP-LMGLLUNTSA-N |
| Literature Reference Author | T.IOSSIFOVA,B.VOGLER,I.KLAIBER,I.KOSTOVA,W.KRAUS |
| Literature Reference Citation | PHYTOCHEM.,50,297(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00538-X |
| Molecular Weight | 640.595 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN11146 |