| SpectraBase Compound ID | VYxpCLZFcv |
|---|---|
| InChI | InChI=1S/C31H50O3/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/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1 |
| InChIKey | YCBSMEKEDOHEQI-QHQGJMPNSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C31H50O3 |
| Exact Mass | 470.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmPuPN1cU1r |
|---|---|
| Name | METHYL-3-BETA-HYDROXY-URS-12-EN-28-OATE |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O3 |
| InChI | InChI=1S/C31H50O3/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/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1 |
| InChIKey | YCBSMEKEDOHEQI-QHQGJMPNSA-N |
| Literature Reference Author | D.O.COLLINS,P.L.D.RUDDOCK,J.C.D.GRASSE,W.F.REYNOLDS,P.B.REES E |
| Literature Reference Citation | PHYTOCHEM.,59,479(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00486-1 |
| Molecular Weight | 470.736 g/mol |
| Solvent | CDCl3 |