| SpectraBase Compound ID | FClLHwhbDwf |
|---|---|
| InChI | InChI=1S/C35H44O13/c1-17-23(44-18(2)36)15-35(42)30(47-31(41)22-12-10-9-11-13-22)28-33(8,29(40)27(46-20(4)38)26(17)32(35,6)7)24(45-19(3)37)14-25-34(28,16-43-25)48-21(5)39/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 | KVCYVYKYUBLZGW-VAUDVNQNSA-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 | D0RRcA82gm9 |
|---|---|
| Name | 9-DEACETYL-BACCATIN-VI |
| Compound Number | 5 |
| 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(44-18(2)36)15-35(42)30(47-31(41)22-12-10-9-11-13-22)28-33(8,29(40)27(46-20(4)38)26(17)32(35,6)7)24(45-19(3)37)14-25-34(28,16-43-25)48-21(5)39/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 | KVCYVYKYUBLZGW-VAUDVNQNSA-N |
| Literature Reference Author | Z.HONGJIE,M.QING,X.WEI,Y.PING,S.HANDONG,Y.TAKEDA |
| Literature Reference Citation | PHYTOCHEM.,44,911(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00658-9 |
| Molecular Weight | 672.727 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA325 |