| SpectraBase Compound ID | AEUCJLnBeiD |
|---|---|
| InChI | InChI=1S/C35H44O13/c1-17-23(40)15-35(42)30(47-31(41)22-12-10-9-11-13-22)28-33(8,24(44-18(2)36)14-25-34(28,16-43-25)48-21(5)39)29(46-20(4)38)27(45-19(3)37)26(17)32(35,6)7/h9-13,23-25,27-30,40,42H,14-16H2,1-8H3/t23-,24-,25+,27+,28-,29-,30-,33+,34-,35+/m0/s1 |
| InChIKey | VKVONEINAKWUDS-RVNSTROOSA-N |
| Mol Weight | 672.7 g/mol |
| Molecular Formula | C35H44O13 |
| Exact Mass | 672.278191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7bXs3uyixzL |
|---|---|
| Name | 13-DEACETYL-BACCATIN-VI |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H44O13 |
| InChI | InChI=1S/C35H44O13/c1-17-23(40)15-35(42)30(47-31(41)22-12-10-9-11-13-22)28-33(8,24(44-18(2)36)14-25-34(28,16-43-25)48-21(5)39)29(46-20(4)38)27(45-19(3)37)26(17)32(35,6)7/h9-13,23-25,27-30,40,42H,14-16H2,1-8H3/t23-,24-,25+,27+,28-,29-,30-,33+,34-,35+/m0/s1 |
| InChIKey | VKVONEINAKWUDS-RVNSTROOSA-N |
| Literature Reference Author | L.BARBONI,P.GARIBOLDI,E.TORREFIANI,G.APPENDINO,B.GABETTA,G.Z INI,E.BONBARDELLI |
| Literature Reference Citation | PHYTOCHEM.,33,145(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85411-J |
| Molecular Weight | 672.727 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN6224 |