![3-O-BETA-[XYLOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID](/api/spectrum/6daouz6IghB/structure.png?h=300&w=458 "3-O-BETA-[XYLOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID")
| SpectraBase Compound ID | BD54rVi5IJ1 |
|---|---|
| InChI | InChI=1S/C42H66O14/c1-37(2)15-16-42(36(50)51)21(17-37)20-9-10-24-39(5)13-12-26(38(3,4)23(39)11-14-40(24,6)41(20,7)18-25(42)44)54-35-30(48)31(29(47)32(56-35)33(49)52-8)55-34-28(46)27(45)22(43)19-53-34/h9,21-32,34-35,43-48H,10-19H2,1-8H3,(H,50,51)/t21?,22-,23?,24?,25-,26+,27+,28-,29+,30-,31+,32+,34+,35-,39+,40-,41-,42-/m1/s1 |
| InChIKey | VSDLMXUAHWKMRE-KRVJKUMVSA-N |
| Mol Weight | 795.0 g/mol |
| Molecular Formula | C42H66O14 |
| Exact Mass | 794.445257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6daouz6IghB |
|---|---|
| Name | 3-O-BETA-[XYLOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O14 |
| InChI | InChI=1S/C42H66O14/c1-37(2)15-16-42(36(50)51)21(17-37)20-9-10-24-39(5)13-12-26(38(3,4)23(39)11-14-40(24,6)41(20,7)18-25(42)44)54-35-30(48)31(29(47)32(56-35)33(49)52-8)55-34-28(46)27(45)22(43)19-53-34/h9,21-32,34-35,43-48H,10-19H2,1-8H3,(H,50,51)/t21?,22-,23?,24?,25-,26+,27+,28-,29+,30-,31+,32+,34+,35-,39+,40-,41-,42-/m1/s1 |
| InChIKey | VSDLMXUAHWKMRE-KRVJKUMVSA-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 | 794.978 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1009 |