| SpectraBase Compound ID | GNneJm7cMRj |
|---|---|
| InChI | InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20-,22-,23-,24+,25+,26-,27+,28-,29-/m1/s1 |
| InChIKey | FNMHEHXNBNCPCI-YMZNFQJPSA-N |
| Mol Weight | 624.6 g/mol |
| Molecular Formula | C29H36O15 |
| Exact Mass | 624.20542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H2gXbZctz9Z |
|---|---|
| Name | 1'-O-BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-6'-O-CAFFEOYL-ALPHA-L-RHAMNOPYRANOSYL-(1->3')-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O15 |
| InChI | InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20-,22-,23-,24+,25+,26-,27+,28-,29-/m1/s1 |
| InChIKey | FNMHEHXNBNCPCI-YMZNFQJPSA-N |
| Literature Reference Author | M.SUO,T.OHTA,F.TAKANO,S.JIN |
| Literature Reference Citation | MOLECULES,18,7336(2013) |
| Literature Reference DOI | 10.3390/molecules18077336 |
| Molecular Weight | 624.596 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR9004 |