| SpectraBase Compound ID | 9nPEe9lxAmH |
|---|---|
| InChI | InChI=1S/C31H40O9/c1-16(2)25(34)40-27-28(3,4)21(13-22(32)37-7)30(6)19-8-10-29(5)20(18(19)14-31(27,36)26(30)35)12-23(33)39-24(29)17-9-11-38-15-17/h9,11,14-16,19-21,24,27,36H,8,10,12-13H2,1-7H3/t19-,20+,21-,24-,27-,29+,30+,31-/m0/s1 |
| InChIKey | MBIKCFMEQQFVRE-UZUCNTOBSA-N |
| Mol Weight | 556.7 g/mol |
| Molecular Formula | C31H40O9 |
| Exact Mass | 556.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KLFq6HE8WZn |
|---|---|
| Name | METHYL-2-HYDROXY-3-BETA-ISOBUTYROXY-1-OXOMELIAC-8(30)-ENATE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O9 |
| InChI | InChI=1S/C31H40O9/c1-16(2)25(34)40-27-28(3,4)21(13-22(32)37-7)30(6)19-8-10-29(5)20(18(19)14-31(27,36)26(30)35)12-23(33)39-24(29)17-9-11-38-15-17/h9,11,14-16,19-21,24,27,36H,8,10,12-13H2,1-7H3/t19-,20+,21-,24-,27-,29+,30+,31-/m0/s1 |
| InChIKey | MBIKCFMEQQFVRE-UZUCNTOBSA-N |
| Literature Reference Author | A.JIMENEZ,C.VALLRREAL,R.A.TOSCANO,M.COOK,J.T.ARNASON,R.BYE,R .MATA |
| Literature Reference Citation | PHYTOCHEM.,49,1981(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00364-1 |
| Molecular Weight | 556.653 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU808 |