| SpectraBase Compound ID | IGTukKNW6kt |
|---|---|
| InChI | InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20-,22-,23+,24+,25-,26-,27-,28-,29-/m1/s1 |
| InChIKey | FBSKJMQYURKNSU-QYBPYJDPSA-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 | GdOHzFv6Guz |
|---|---|
| Name | 1'-O-BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-4'-O-CAFFEOYL-ALPHA-L-RHAMNOPYRANOSYL-(1->3')-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| 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(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20-,22-,23+,24+,25-,26-,27-,28-,29-/m1/s1 |
| InChIKey | FBSKJMQYURKNSU-QYBPYJDPSA-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 | UWIR9001 |