![3'''-O-METHYLCRENATOSIDE;1,2-O-[2S-(3,4-DIHYDROXYPHENYL)-1,2-ETHANEDIYL]-3-O-ALPHA-L-RHAMNOPYRANOSYL-4-O-FERULOYL-BETA-D-GLUCOPYRNOSIDE](/api/spectrum/5C4TBWyo1Ya/structure.png?h=300&w=458 "3'''-O-METHYLCRENATOSIDE;1,2-O-[2S-(3,4-DIHYDROXYPHENYL)-1,2-ETHANEDIYL]-3-O-ALPHA-L-RHAMNOPYRANOSYL-4-O-FERULOYL-BETA-D-GLUCOPYRNOSIDE")
| SpectraBase Compound ID | DuqvlrkYzsU |
|---|---|
| InChI | InChI=1S/C30H36O15/c1-13-23(36)24(37)25(38)29(41-13)45-27-26(44-22(35)8-4-14-3-6-17(33)19(9-14)39-2)20(11-31)43-30-28(27)42-21(12-40-30)15-5-7-16(32)18(34)10-15/h3-10,13,20-21,23-34,36-38H,11-12H2,1-2H3/b8-4+/t13-,20+,21?,23-,24+,25+,26+,27-,28+,29-,30+/m1/s1 |
| InChIKey | UJSFZPXZSSCWGS-YYILQBQSSA-N |
| Mol Weight | 636.6 g/mol |
| Molecular Formula | C30H36O15 |
| Exact Mass | 636.20542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5C4TBWyo1Ya |
|---|---|
| Name | 3'''-O-METHYLCRENATOSIDE;1,2-O-[2S-(3,4-DIHYDROXYPHENYL)-1,2-ETHANEDIYL]-3-O-ALPHA-L-RHAMNOPYRANOSYL-4-O-FERULOYL-BETA-D-GLUCOPYRNOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H36O15 |
| InChI | InChI=1S/C30H36O15/c1-13-23(36)24(37)25(38)29(41-13)45-27-26(44-22(35)8-4-14-3-6-17(33)19(9-14)39-2)20(11-31)43-30-28(27)42-21(12-40-30)15-5-7-16(32)18(34)10-15/h3-10,13,20-21,23-34,36-38H,11-12H2,1-2H3/b8-4+/t13-,20+,21?,23-,24+,25+,26+,27-,28+,29-,30+/m1/s1 |
| InChIKey | UJSFZPXZSSCWGS-YYILQBQSSA-N |
| Literature Reference Author | C.Q.LI,B.G.LI,H.Y.QI,Q.L.LI,F.P.WANG,G.L.ZHANG |
| Literature Reference Citation | J.NAT.PROD.,67,978(2004) |
| Literature Reference DOI | 10.1021/np040021x |
| Molecular Weight | 636.607 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ7249 |