| SpectraBase Compound ID | D46eIAxKUEi |
|---|---|
| InChI | InChI=1S/C36H50O18/c1-18-13-26(43)14-34(9,10)36(18,44)12-11-19(2)48-32-30(51-23(6)40)29(50-22(5)39)28(49-21(4)38)27(53-32)15-45-33-31(52-24(7)41)35(17-47-33,54-25(8)42)16-46-20(3)37/h11-13,19,27-33,44H,14-17H2,1-10H3/b12-11+/t19?,27-,28-,29+,30-,31-,32-,33+,35+,36?/m1/s1 |
| InChIKey | QGGOCTAZZGLQRI-XXXVGAGHSA-N |
| Mol Weight | 770.8 g/mol |
| Molecular Formula | C36H50O18 |
| Exact Mass | 770.299715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2TuggvZ5TJy |
|---|---|
| Name | (E)-6,9-DIHYDROXYMEGASTIGMA-4,7-DIEN-3-ONE-9-O-BETA-D-APIOFURANOSYL-(1->6)-O-BETA-D-GLUCOPYRANOSIDE-HEXAACETATE |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H50O18 |
| InChI | InChI=1S/C36H50O18/c1-18-13-26(43)14-34(9,10)36(18,44)12-11-19(2)48-32-30(51-23(6)40)29(50-22(5)39)28(49-21(4)38)27(53-32)15-45-33-31(52-24(7)41)35(17-47-33,54-25(8)42)16-46-20(3)37/h11-13,19,27-33,44H,14-17H2,1-10H3/b12-11+/t19?,27-,28-,29+,30-,31-,32-,33+,35+,36?/m1/s1 |
| InChIKey | QGGOCTAZZGLQRI-XXXVGAGHSA-N |
| Literature Reference Author | R.BALTENWECK-GUYOT,J.M.TRENDEL,P.ALBRECHT,A.SCHAEFFER |
| Literature Reference Citation | PHYTOCHEM.,43,621(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00235-X |
| Molecular Weight | 770.782 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS2104 |