| SpectraBase Compound ID | 1pUPF0LjRXR |
|---|---|
| InChI | InChI=1S/C32H44O15/c1-14-20(42-15(2)34)11-32(40)28(46-19(6)38)26-30(9,21(43-16(3)35)10-22(44-17(4)36)31(26)13-41-31)27(45-18(5)37)25(47-23(39)12-33)24(14)29(32,7)8/h20-22,25-28,33,40H,10-13H2,1-9H3/t20-,21-,22-,25+,26-,27-,28-,30+,31+,32+/m0/s1 |
| InChIKey | LMGVSEPJIRJADE-ODKOIPMMSA-N |
| Mol Weight | 668.7 g/mol |
| Molecular Formula | C32H44O15 |
| Exact Mass | 668.268021 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Nvd1CpnUKL |
|---|---|
| Name | 1-BETA-HYDROXY-10-DEACETYL-10-GLYCOLYLBACCATIN-I |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44O15 |
| InChI | InChI=1S/C32H44O15/c1-14-20(42-15(2)34)11-32(40)28(46-19(6)38)26-30(9,21(43-16(3)35)10-22(44-17(4)36)31(26)13-41-31)27(45-18(5)37)25(47-23(39)12-33)24(14)29(32,7)8/h20-22,25-28,33,40H,10-13H2,1-9H3/t20-,21-,22-,25+,26-,27-,28-,30+,31+,32+/m0/s1 |
| InChIKey | LMGVSEPJIRJADE-ODKOIPMMSA-N |
| Literature Reference Author | J.ZHANG,F.SAURIOL,O.MAMER,L.O.ZAMIR |
| Literature Reference Citation | PHYTOCHEM.,54,221(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00079-0 |
| Molecular Weight | 668.692 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1263 |