| SpectraBase Compound ID | KXQCj5dPY9e |
|---|---|
| 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-RLQVJAFMSA-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 | 7EWy8tmdLJ1 |
|---|---|
| Name | 3-BETA,16-ALPHA-DIHYDROXY-OLEAN-12-EN-28-OIC-ACID-METHYLESTER;ECHINOCYSTIC-ACID-METHYLESTER |
| Compound Number | 3 |
| 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-RLQVJAFMSA-N |
| Literature Reference Author | Y.SHAO,B.N.ZHOU,K.MA,H.M.WU |
| Literature Reference Citation | J.NAT.PROD.,58,837(1995) |
| Literature Reference DOI | 10.1021/np50120a003 |
| Molecular Weight | 486.736 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWVP4109 |