| SpectraBase Compound ID | GJmmG6oMRPh |
|---|---|
| InChI | InChI=1S/C32H42O8/c1-8-17(2)29(36)40-28-20-13-19-21(32(6,26(20)35)23(30(28,3)4)15-24(33)37-7)9-11-31(5)22(19)14-25(34)39-27(31)18-10-12-38-16-18/h10,12-13,16-17,20-23,27-28H,8-9,11,14-15H2,1-7H3/t17?,20?,21?,22?,23?,27-,28+,31+,32+/m0/s1 |
| InChIKey | VJNCOPXREONOMO-PSOBLYEMSA-N |
| Mol Weight | 554.7 g/mol |
| Molecular Formula | C32H42O8 |
| Exact Mass | 554.287968 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6C4uODum69 |
|---|---|
| Name | CIPADESIN;METHYL-3-BETA-(2-METHYL-BUTYRYLOXY)-1-OXOMELIAC-8(30)-ENATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H42O8 |
| InChI | InChI=1S/C32H42O8/c1-8-17(2)29(36)40-28-20-13-19-21(32(6,26(20)35)23(30(28,3)4)15-24(33)37-7)9-11-31(5)22(19)14-25(34)39-27(31)18-10-12-38-16-18/h10,12-13,16-17,20-23,27-28H,8-9,11,14-15H2,1-7H3/t17?,20?,21?,22?,23?,27-,28+,31+,32+/m0/s1 |
| InChIKey | VJNCOPXREONOMO-PSOBLYEMSA-N |
| Literature Reference Author | X.D.LUO,S.H.WU,Y.B.MA,D.G.WU |
| Literature Reference Citation | PHYTOCHEM.,55,867(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00247-8 |
| Molecular Weight | 554.681 g/mol |
| Solvent | CDCl3 |