| SpectraBase Compound ID | 4gcQyCsQpaU |
|---|---|
| InChI | InChI=1S/C35H54O8/c1-19-11-14-35(29(39)41-10)16-15-32(7)22(26(35)34(19,9)40)17-23(42-20(2)36)27-31(6)18-24(43-21(3)37)28(38)30(4,5)25(31)12-13-33(27,32)8/h17,19,23-28,38,40H,11-16,18H2,1-10H3/t19-,23-,24-,25?,26-,27?,28?,31+,32-,33-,34-,35+/m1/s1 |
| InChIKey | IKPXLGMLGFGKHB-KPQZRDTNSA-N |
| Mol Weight | 602.8 g/mol |
| Molecular Formula | C35H54O8 |
| Exact Mass | 602.381869 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HdsHlgBh9m0 |
|---|---|
| Name | METHYL-CECROPIOATE;METHYL-2-ALPHA,11-ALPHA-DIACETOXY-3-BETA,19-ALPHA-DIHYDROXY-URS-12-EN-28-OATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H54O8 |
| InChI | InChI=1S/C35H54O8/c1-19-11-14-35(29(39)41-10)16-15-32(7)22(26(35)34(19,9)40)17-23(42-20(2)36)27-31(6)18-24(43-21(3)37)28(38)30(4,5)25(31)12-13-33(27,32)8/h17,19,23-28,38,40H,11-16,18H2,1-10H3/t19-,23-,24-,25?,26-,27?,28?,31+,32-,33-,34-,35+/m1/s1 |
| InChIKey | IKPXLGMLGFGKHB-KPQZRDTNSA-N |
| Literature Reference Author | D.LONTSI,B.L.SONDENGAM,M.T.MARTIN,B.BODO |
| Literature Reference Citation | PHYTOCHEM.,48,171(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00789-9 |
| Molecular Weight | 602.809 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS640 |