| SpectraBase Compound ID | IqJeFSWL8AH |
|---|---|
| InChI | InChI=1S/C33H40O13/c1-16-19(35)14-33(42)28(45-29(41)18-9-7-6-8-10-18)26-31(5,20(36)13-21-32(26,15-43-21)46-17(2)34)27(40)25(24(16)30(33,3)4)44-23(39)12-11-22(37)38/h6-10,19-21,25-26,28,35-36,42H,11-15H2,1-5H3,(H,37,38)/t19-,20-,21+,25+,26-,28-,31+,32-,33+/m0/s1 |
| InChIKey | HUDDNCMNOKVHMP-IORYLUJPSA-N |
| Mol Weight | 644.7 g/mol |
| Molecular Formula | C33H40O13 |
| Exact Mass | 644.246891 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2PjX0tj2zFr |
|---|---|
| Name | 10-DEACETYL-10-O-HEMISUCCINYLBACCATIN-III |
| Compound Number | 1 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O13 |
| InChI | InChI=1S/C33H40O13/c1-16-19(35)14-33(42)28(45-29(41)18-9-7-6-8-10-18)26-31(5,20(36)13-21-32(26,15-43-21)46-17(2)34)27(40)25(24(16)30(33,3)4)44-23(39)12-11-22(37)38/h6-10,19-21,25-26,28,35-36,42H,11-15H2,1-5H3,(H,37,38)/t19-,20-,21+,25+,26-,28-,31+,32-,33+/m0/s1 |
| InChIKey | HUDDNCMNOKVHMP-IORYLUJPSA-N |
| Literature Reference Author | B.DANIELI,A.GIARDINI,G.LESMA,D.PASSARELLA,A.SILVANI,G.APPEND INO,A.NONCOVICH,G.F |
| Literature Reference Citation | CHEM.BIODIV.,1,327(2004) |
| Literature Reference DOI | 10.1002/cbdv.200490029 |
| Molecular Weight | 644.673 g/mol |
| Solvent | CDCl3:1-DROP-DMSO-D6 |
| Source File Reference | UWLU21612 |