| SpectraBase Compound ID | 9PoeAzd809k |
|---|---|
| InChI | InChI=1S/C36H44O13/c1-10-17(2)29(40)49-32-33(5,6)22(15-23(39)44-9)35(8)21-11-13-34(7)25(24(21)28(47-19(4)38)36(32,43)31(35)42)26(46-18(3)37)30(41)48-27(34)20-12-14-45-16-20/h10,12,14,16,21-22,26-28,32,43H,11,13,15H2,1-9H3/b17-10+/t21-,22-,26+,27+,28-,32+,34+,35+,36-/m0/s1 |
| InChIKey | CQEZJOHJWKCMJF-AWWHJKPMSA-N |
| Mol Weight | 684.7 g/mol |
| Molecular Formula | C36H44O13 |
| Exact Mass | 684.278191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9HtBEIvu8A |
|---|---|
| Name | TRICHINENLIDE_L |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H44O13 |
| InChI | InChI=1S/C36H44O13/c1-10-17(2)29(40)49-32-33(5,6)22(15-23(39)44-9)35(8)21-11-13-34(7)25(24(21)28(47-19(4)38)36(32,43)31(35)42)26(46-18(3)37)30(41)48-27(34)20-12-14-45-16-20/h10,12,14,16,21-22,26-28,32,43H,11,13,15H2,1-9H3/b17-10+/t21-,22-,26+,27+,28-,32+,34+,35+,36-/m0/s1 |
| InChIKey | CQEZJOHJWKCMJF-AWWHJKPMSA-N |
| Literature Reference Author | J.B.XU,Y.LIN,S.H.DONG,F.WANG,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,76,1872(2013) |
| Literature Reference DOI | 10.1021/np400408s |
| Molecular Weight | 684.738 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ43311 |