![1'-O-BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-[4''-O-CAFFEOYL-(ALPHA-L-RHAMNOPYRANOSYL)]-(1->3')-D-GALACTOPYRANOSIDE](/api/spectrum/LCSDqb7AW46/structure.png?h=300&w=458 "1'-O-BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-[4''-O-CAFFEOYL-(ALPHA-L-RHAMNOPYRANOSYL)]-(1->3')-D-GALACTOPYRANOSIDE")
| SpectraBase Compound ID | 30FYwq5pzGl |
|---|---|
| InChI | InChI=1S/C29H36O15/c1-13-26(43-21(35)7-4-14-2-5-16(31)18(33)10-14)23(37)24(38)29(41-13)44-27-22(36)20(12-30)42-28(25(27)39)40-9-8-15-3-6-17(32)19(34)11-15/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-/m0/s1 |
| InChIKey | HCPRGPVRLFRENV-VDJHLXSPSA-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 | LCSDqb7AW46 |
|---|---|
| Name | 1'-O-BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-[4''-O-CAFFEOYL-(ALPHA-L-RHAMNOPYRANOSYL)]-(1->3')-D-GALACTOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O15 |
| InChI | InChI=1S/C29H36O15/c1-13-26(43-21(35)7-4-14-2-5-16(31)18(33)10-14)23(37)24(38)29(41-13)44-27-22(36)20(12-30)42-28(25(27)39)40-9-8-15-3-6-17(32)19(34)11-15/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-/m0/s1 |
| InChIKey | HCPRGPVRLFRENV-VDJHLXSPSA-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 | UWIR9005 |