| SpectraBase Compound ID | 3JANaqAYbwr |
|---|---|
| InChI | InChI=1S/C31H50O5/c1-26(2)12-14-31(25(35)36-7)15-13-29(5)19(20(31)16-26)8-9-23-27(3)17-21(33)24(34)28(4,18-32)22(27)10-11-30(23,29)6/h8,20-24,32-34H,9-18H2,1-7H3/t20?,21-,22?,23?,24-,27+,28+,29-,30-,31+/m1/s1 |
| InChIKey | PQQIABJSQBQEFM-AVQQACQZSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C31H50O5 |
| Exact Mass | 502.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1FP79EemRMK |
|---|---|
| Name | METHYL-2-ALPHA,3-ALPHA,24-TRIHYDROXY-OLEAN-12-EN-28-OATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O5 |
| InChI | InChI=1S/C31H50O5/c1-26(2)12-14-31(25(35)36-7)15-13-29(5)19(20(31)16-26)8-9-23-27(3)17-21(33)24(34)28(4,18-32)22(27)10-11-30(23,29)6/h8,20-24,32-34H,9-18H2,1-7H3/t20?,21-,22?,23?,24-,27+,28+,29-,30-,31+/m1/s1 |
| InChIKey | PQQIABJSQBQEFM-AVQQACQZSA-N |
| Literature Reference Author | H.KOJIMA,H.OGURA |
| Literature Reference Citation | PHYTOCHEM.,25,729(1986) |
| Literature Reference DOI | 10.1016/0031-9422(86)88033-5 |
| Molecular Weight | 502.735 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK304 |