| SpectraBase Compound ID | 3BcXTBYNQbS |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-26(2)15-16-31(25(34)35-8)20(17-26)19-9-10-22-28(5)13-12-23(32)27(3,4)21(28)11-14-29(22,6)30(19,7)18-24(31)33/h9,20-24,32-33H,10-18H2,1-8H3/t20?,21?,22?,23-,24+,28-,29+,30+,31+/m0/s1 |
| InChIKey | ZSRIUUWYDGCPHU-PCQINKRTSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6gH077v2LI8 |
|---|---|
| Name | ECHINOCISTIC-ACID-METHYLESTER;METHYL-3-BETA,16-ALPHA-DIHYDROXYOLEAN-12-EN-28-OATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-26(2)15-16-31(25(34)35-8)20(17-26)19-9-10-22-28(5)13-12-23(32)27(3,4)21(28)11-14-29(22,6)30(19,7)18-24(31)33/h9,20-24,32-33H,10-18H2,1-8H3/t20?,21?,22?,23-,24+,28-,29+,30+,31+/m0/s1 |
| InChIKey | ZSRIUUWYDGCPHU-PCQINKRTSA-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 | 486.736 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1937 |