![3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID](/api/spectrum/JknmgxY5l8Z/structure.png?h=300&w=458 "3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID")
| SpectraBase Compound ID | 9QgjtuMIe2H |
|---|---|
| InChI | InChI=1S/C43H68O15/c1-38(2)15-16-43(37(52)53)21(17-38)20-9-10-24-40(5)13-12-26(39(3,4)23(40)11-14-41(24,6)42(20,7)18-25(43)45)56-36-33(30(49)29(48)32(57-36)34(51)54-8)58-35-31(50)28(47)27(46)22(19-44)55-35/h9,21-33,35-36,44-50H,10-19H2,1-8H3,(H,52,53)/t21?,22-,23?,24?,25-,26+,27+,28+,29+,30+,31-,32+,33-,35+,36-,40+,41-,42-,43-/m1/s1 |
| InChIKey | DLFMQZYVSOHVHS-FWLBADKFSA-N |
| Mol Weight | 825.0 g/mol |
| Molecular Formula | C43H68O15 |
| Exact Mass | 824.455821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JknmgxY5l8Z |
|---|---|
| Name | 3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H68O15 |
| InChI | InChI=1S/C43H68O15/c1-38(2)15-16-43(37(52)53)21(17-38)20-9-10-24-40(5)13-12-26(39(3,4)23(40)11-14-41(24,6)42(20,7)18-25(43)45)56-36-33(30(49)29(48)32(57-36)34(51)54-8)58-35-31(50)28(47)27(46)22(19-44)55-35/h9,21-33,35-36,44-50H,10-19H2,1-8H3,(H,52,53)/t21?,22-,23?,24?,25-,26+,27+,28+,29+,30+,31-,32+,33-,35+,36-,40+,41-,42-,43-/m1/s1 |
| InChIKey | DLFMQZYVSOHVHS-FWLBADKFSA-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 | 825.004 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1010 |