| SpectraBase Compound ID | 3tcT0bMlg9M |
|---|---|
| InChI | InChI=1S/C35H56O5/c1-20-21(2)29-24-18-25(38-11)30-33(8)14-13-28(40-23(4)37)31(5,6)27(33)12-15-35(30,10)34(24,9)17-16-32(29,7)19-26(20)39-22(3)36/h18,20-21,25-30H,12-17,19H2,1-11H3/t20-,21-,25+,26-,27-,28+,29-,30+,32-,33-,34+,35+/m0/s1 |
| InChIKey | SPLARDYYDJIQKH-LSVGOXPJSA-N |
| Mol Weight | 556.8 g/mol |
| Molecular Formula | C35H56O5 |
| Exact Mass | 556.412775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5gofeh7eREj |
|---|---|
| Name | 3-ALPHA,21-BETA-DIACETOXY-11-ALPHA-METHOXY-URS-12-ENE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O5 |
| InChI | InChI=1S/C35H56O5/c1-20-21(2)29-24-18-25(38-11)30-33(8)14-13-28(40-23(4)37)31(5,6)27(33)12-15-35(30,10)34(24,9)17-16-32(29,7)19-26(20)39-22(3)36/h18,20-21,25-30H,12-17,19H2,1-11H3/t20-,21-,25+,26-,27-,28+,29-,30+,32-,33-,34+,35+/m0/s1 |
| InChIKey | SPLARDYYDJIQKH-LSVGOXPJSA-N |
| Literature Reference Author | D.CACERES-CASTILLO,G.J.MENA-REJON,R.CEDILLO-RIVERA,L.QUIJANO |
| Literature Reference Citation | PHYTOCHEM.,69,1057(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.10.016 |
| Molecular Weight | 556.827 g/mol |
| Sample ID | 43290 |
| Solvent | CDCl3 |