| SpectraBase Compound ID | J7AVdBj34e3 |
|---|---|
| InChI | InChI=1S/C32H40O9/c1-8-17(2)26(35)41-28-29(3,4)22(14-23(33)38-7)31(6)20-9-11-30(5)21(19(20)15-32(28,37)27(31)36)13-24(34)40-25(30)18-10-12-39-16-18/h8,10,12,15-16,20-22,25,28,37H,9,11,13-14H2,1-7H3/b17-8+/t20-,21+,22-,25-,28-,30+,31+,32-/m0/s1 |
| InChIKey | JJTOVDGWVPPWNZ-BLGXQHIESA-N |
| Mol Weight | 568.7 g/mol |
| Molecular Formula | C32H40O9 |
| Exact Mass | 568.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IvPSQ6xf0zg |
|---|---|
| Name | METHYL-2-HYDROXY-3-BETA-TIGLOYLOXY-1-OXOMELIAC-8(30)-ENATE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H40O9 |
| InChI | InChI=1S/C32H40O9/c1-8-17(2)26(35)41-28-29(3,4)22(14-23(33)38-7)31(6)20-9-11-30(5)21(19(20)15-32(28,37)27(31)36)13-24(34)40-25(30)18-10-12-39-16-18/h8,10,12,15-16,20-22,25,28,37H,9,11,13-14H2,1-7H3/b17-8+/t20-,21+,22-,25-,28-,30+,31+,32-/m0/s1 |
| InChIKey | JJTOVDGWVPPWNZ-BLGXQHIESA-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 | 568.664 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU809 |