![3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID](/api/spectrum/AdU3CaOsBHH/structure.png?h=300&w=458 "3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID")
| SpectraBase Compound ID | 1i8paZBAKQ8 |
|---|---|
| InChI | InChI=1S/C43H66O16/c1-38(2)14-15-43(37(53)54)21(16-38)20-8-9-24-39(3)12-11-26(40(4,19-45)23(39)10-13-41(24,5)42(20,6)17-25(43)46)57-36-33(30(50)29(49)32(58-36)34(52)55-7)59-35-31(51)28(48)27(47)22(18-44)56-35/h8,19,21-33,35-36,44,46-51H,9-18H2,1-7H3,(H,53,54)/t21?,22-,23?,24?,25-,26+,27+,28+,29+,30+,31-,32+,33-,35+,36-,39+,40+,41-,42-,43-/m1/s1 |
| InChIKey | YOMFYUMWXUPIGT-YVESDUAMSA-N |
| Mol Weight | 839.0 g/mol |
| Molecular Formula | C43H66O16 |
| Exact Mass | 838.435086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdU3CaOsBHH |
|---|---|
| Name | 3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H66O16 |
| InChI | InChI=1S/C43H66O16/c1-38(2)14-15-43(37(53)54)21(16-38)20-8-9-24-39(3)12-11-26(40(4,19-45)23(39)10-13-41(24,5)42(20,6)17-25(43)46)57-36-33(30(50)29(49)32(58-36)34(52)55-7)59-35-31(51)28(48)27(47)22(18-44)56-35/h8,19,21-33,35-36,44,46-51H,9-18H2,1-7H3,(H,53,54)/t21?,22-,23?,24?,25-,26+,27+,28+,29+,30+,31-,32+,33-,35+,36-,39+,40+,41-,42-,43-/m1/s1 |
| InChIKey | YOMFYUMWXUPIGT-YVESDUAMSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 838.987 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1294 |