| SpectraBase Compound ID | ACOXKg93xJA |
|---|---|
| InChI | InChI=1S/C32H44O14/c1-14-21(41-15(2)33)12-32(39)28(46-20(7)38)26-30(10,22(42-16(3)34)11-23(43-17(4)35)31(26)13-40-31)27(45-19(6)37)25(44-18(5)36)24(14)29(32,8)9/h21-23,25-28,39H,11-13H2,1-10H3/t21-,22-,23-,25+,26-,27-,28+,30+,31+,32+/m0/s1 |
| InChIKey | LUTPIRPNUNHFEV-CUQNMPDISA-N |
| Mol Weight | 652.7 g/mol |
| Molecular Formula | C32H44O14 |
| Exact Mass | 652.273106 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 84AcBIKC2AJ |
|---|---|
| Name | 1-BETA-HYDROXY-BACCATIN-I |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44O14 |
| InChI | InChI=1S/C32H44O14/c1-14-21(41-15(2)33)12-32(39)28(46-20(7)38)26-30(10,22(42-16(3)34)11-23(43-17(4)35)31(26)13-40-31)27(45-19(6)37)25(44-18(5)36)24(14)29(32,8)9/h21-23,25-28,39H,11-13H2,1-10H3/t21-,22-,23-,25+,26-,27-,28+,30+,31+,32+/m0/s1 |
| InChIKey | LUTPIRPNUNHFEV-CUQNMPDISA-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 | 652.693 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN6227 |