| SpectraBase Compound ID | FVHgBD31jJs |
|---|---|
| InChI | InChI=1S/C31H48O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-23,25H,10-18H2,1-8H3/t19-,20+,22?,23?,25?,28+,29-,30-,31+/m1/s1 |
| InChIKey | OGCQKMJALQHROV-XYGFPROFSA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C31H48O3 |
| Exact Mass | 468.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LbSfMa8N2I6 |
|---|---|
| Name | METHYL-3-OXO-URS-12-EN-28-OATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O3 |
| InChI | InChI=1S/C31H48O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-23,25H,10-18H2,1-8H3/t19-,20+,22?,23?,25?,28+,29-,30-,31+/m1/s1 |
| InChIKey | OGCQKMJALQHROV-XYGFPROFSA-N |
| Literature Reference Author | Y.GANEVA,E.TSANKOVA,S.SIMOVA,B.APOSTOLOVA,E.ZAHARIEVA |
| Literature Reference Citation | PLANTA.MED.,59,276(1993) |
| Literature Reference DOI | 10.1055/s-2006-959670 |
| Molecular Weight | 468.720 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP461 |