| SpectraBase Compound ID | reTToRtiMS |
|---|---|
| InChI | InChI=1S/C30H42O12/c1-14-24(38-16(3)32)11-22-26(40-18(5)34)10-21(13-31)23(37)12-25(39-17(4)33)15(2)28(41-19(6)35)29(42-20(7)36)27(14)30(22,8)9/h10,22-26,29,31,37H,11-13H2,1-9H3/b21-10+,28-15+/t22-,23-,24-,25-,26-,29+/m0/s1 |
| InChIKey | USDGRBIQBGVGOS-KBNNHJHNSA-N |
| Mol Weight | 594.7 g/mol |
| Molecular Formula | C30H42O12 |
| Exact Mass | 594.267627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D70CfIGKwPQ |
|---|---|
| Name | 20-DEACETYLTAXACHITRIENE_A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42O12 |
| InChI | InChI=1S/C30H42O12/c1-14-24(38-16(3)32)11-22-26(40-18(5)34)10-21(13-31)23(37)12-25(39-17(4)33)15(2)28(41-19(6)35)29(42-20(7)36)27(14)30(22,8)9/h10,22-26,29,31,37H,11-13H2,1-9H3/b21-10+,28-15+/t22-,23-,24-,25-,26-,29+/m0/s1 |
| InChIKey | USDGRBIQBGVGOS-KBNNHJHNSA-N |
| Literature Reference Author | W.-S.FANG,Q.-C.FANG,X.-T.LIANG |
| Literature Reference Citation | PLANTA.MED.,62,567(1996) |
| Literature Reference DOI | 10.1055/s-2006-957975 |
| Molecular Weight | 594.656 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP882 |