| SpectraBase Compound ID | AFI7eNw4Mv7 |
|---|---|
| InChI | InChI=1S/C38H60O10/c1-33(2)16-17-38(32(44)46-9)21(18-33)20-10-11-23-35(5)14-13-25(47-31-28(42)26(40)27(41)29(48-31)30(43)45-8)34(3,4)22(35)12-15-36(23,6)37(20,7)19-24(38)39/h10,21-29,31,39-42H,11-19H2,1-9H3/t21?,22?,23?,24-,25+,26+,27+,28-,29+,31-,35+,36-,37-,38-/m1/s1 |
| InChIKey | OVXZVDSAOVBDKG-JWZKKRAJSA-N |
| Mol Weight | 676.9 g/mol |
| Molecular Formula | C38H60O10 |
| Exact Mass | 676.418648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I8MQcuA9Gl7 |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSIDURONIC-ACID-ECHINOCISTIC-ACID-DIMETHYLESTER;METHYL-16-ALPHA-HYDROXYOLEAN-12-EN-3-O-BETA-D-GLUCOPYRANOSIDURONIC-ACID-METH |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H60O10 |
| InChI | InChI=1S/C38H60O10/c1-33(2)16-17-38(32(44)46-9)21(18-33)20-10-11-23-35(5)14-13-25(47-31-28(42)26(40)27(41)29(48-31)30(43)45-8)34(3,4)22(35)12-15-36(23,6)37(20,7)19-24(38)39/h10,21-29,31,39-42H,11-19H2,1-9H3/t21?,22?,23?,24-,25+,26+,27+,28-,29+,31-,35+,36-,37-,38-/m1/s1 |
| InChIKey | OVXZVDSAOVBDKG-JWZKKRAJSA-N |
| Literature Reference Author | Y.SHAO,O.POOBRASERT,C.T.HO,C.K.CHIN,G.A.CORDELL |
| Literature Reference Citation | PHYTOCHEM.,43,195(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00247-6 |
| Molecular Weight | 676.888 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1938 |