| SpectraBase Compound ID | LauJcX2Jmcj |
|---|---|
| InChI | InChI=1S/C40H44O12/c1-22-27(50-30(44)18-17-25-13-9-7-10-14-25)20-40(47)35(51-36(46)26-15-11-8-12-16-26)33-38(6,28(43)19-29-39(33,21-48-29)52-24(3)42)34(45)32(49-23(2)41)31(22)37(40,4)5/h7-18,27-29,32-33,35,43,47H,19-21H2,1-6H3/b18-17+/t27-,28-,29+,32+,33?,35-,38+,39-,40+/m0/s1 |
| InChIKey | PPZXDJGRIUOJEB-UWPAXDIWSA-N |
| Mol Weight | 716.8 g/mol |
| Molecular Formula | C40H44O12 |
| Exact Mass | 716.283277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Y4wo38W7nw |
|---|---|
| Name | BACCATIN-III-13-CINNAMATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H44O12 |
| InChI | InChI=1S/C40H44O12/c1-22-27(50-30(44)18-17-25-13-9-7-10-14-25)20-40(47)35(51-36(46)26-15-11-8-12-16-26)33-38(6,28(43)19-29-39(33,21-48-29)52-24(3)42)34(45)32(49-23(2)41)31(22)37(40,4)5/h7-18,27-29,32-33,35,43,47H,19-21H2,1-6H3/b18-17+/t27-,28-,29+,32+,33?,35-,38+,39-,40+/m0/s1 |
| InChIKey | PPZXDJGRIUOJEB-UWPAXDIWSA-N |
| Literature Reference Author | S.J.YANG,J.M.FANG,Y.S.CHENG |
| Literature Reference Citation | PHYTOCHEM.,50,127(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00458-0 |
| Molecular Weight | 716.782 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN11202 |