![4-O-{6-O-[4-O-(6-O-SYRINGYLOYL-BETA-D-GLUCOPYRANOSYL)-VANILLOYL]-BETA-D-GLUCOPYRANOSYL}-3-METHOXYBENZOIC_ACID](/api/spectrum/HrP8mwK2L6S/structure.png?h=300&w=458 "4-O-{6-O-[4-O-(6-O-SYRINGYLOYL-BETA-D-GLUCOPYRANOSYL)-VANILLOYL]-BETA-D-GLUCOPYRANOSYL}-3-METHOXYBENZOIC_ACID")
| SpectraBase Compound ID | FafVGKQ566J |
|---|---|
| InChI | InChI=1S/C37H42O21/c1-49-20-9-15(33(45)46)5-7-18(20)55-36-31(43)29(41)27(39)24(57-36)13-53-34(47)16-6-8-19(21(10-16)50-2)56-37-32(44)30(42)28(40)25(58-37)14-54-35(48)17-11-22(51-3)26(38)23(12-17)52-4/h5-12,24-25,27-32,36-44H,13-14H2,1-4H3,(H,45,46)/t24-,25+,27-,28+,29+,30-,31-,32+,36-,37+/m1/s1 |
| InChIKey | MINRACKXAPJYCO-YYEAOTFGSA-N |
| Mol Weight | 822.7 g/mol |
| Molecular Formula | C37H42O21 |
| Exact Mass | 822.221858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HrP8mwK2L6S |
|---|---|
| Name | 4-O-{6-O-[4-O-(6-O-SYRINGYLOYL-BETA-D-GLUCOPYRANOSYL)-VANILLOYL]-BETA-D-GLUCOPYRANOSYL}-3-METHOXYBENZOIC_ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H42O21 |
| InChI | InChI=1S/C37H42O21/c1-49-20-9-15(33(45)46)5-7-18(20)55-36-31(43)29(41)27(39)24(57-36)13-53-34(47)16-6-8-19(21(10-16)50-2)56-37-32(44)30(42)28(40)25(58-37)14-54-35(48)17-11-22(51-3)26(38)23(12-17)52-4/h5-12,24-25,27-32,36-44H,13-14H2,1-4H3,(H,45,46)/t24-,25+,27-,28+,29+,30-,31-,32+,36-,37+/m1/s1 |
| InChIKey | MINRACKXAPJYCO-YYEAOTFGSA-N |
| Literature Reference Author | Y.ZHANG,M.GAN,S.LIN,M.LIU,W.SONG,J.ZI,S.WANG,S.LI,Y.YANG,J.S HI |
| Literature Reference Citation | J.NAT.PROD.,71,905(2008) |
| Literature Reference DOI | 10.1021/np700758q |
| Molecular Weight | 822.728 g/mol |
| Sample ID | 28405 |
| Solvent | DMSO-D6 |