| SpectraBase Compound ID | H7NQ3ubQTA1 |
|---|---|
| InChI | InChI=1S/C31H40O11/c1-15-19(40-16(2)32)13-30(28(4,5)38)22(15)23(35)25(36)29(6)20(34)12-21-31(14-39-21,42-17(3)33)24(29)26(30)41-27(37)18-10-8-7-9-11-18/h7-11,19-21,23-26,34-36,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,25-,26-,29+,30-,31-/m0/s1 |
| InChIKey | AZZJYXIFCQZQFW-LPRGFTSCSA-N |
| Mol Weight | 588.7 g/mol |
| Molecular Formula | C31H40O11 |
| Exact Mass | 588.257062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FkYxsb5aVeO |
|---|---|
| Name | 7,9,10-TRIDEACETYL-ABEOBACCATIN-VI |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O11 |
| InChI | InChI=1S/C31H40O11/c1-15-19(40-16(2)32)13-30(28(4,5)38)22(15)23(35)25(36)29(6)20(34)12-21-31(14-39-21,42-17(3)33)24(29)26(30)41-27(37)18-10-8-7-9-11-18/h7-11,19-21,23-26,34-36,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,25-,26-,29+,30-,31-/m0/s1 |
| InChIKey | AZZJYXIFCQZQFW-LPRGFTSCSA-N |
| Literature Reference Author | G.APPENDINO,G.CRAVOTTO,R.ENRIU,J.JAKUPOVIC,P.GARIBOLDI,B.GAB ETTA,E.BOMBARDELLI |
| Literature Reference Citation | PHYTOCHEM.,36,407(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)97085-7 |
| Molecular Weight | 588.652 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS25200 |