| SpectraBase Compound ID | DKWGAbhVVtM |
|---|---|
| InChI | InChI=1S/C39H48O13/c1-11-19(3)31(42)50-28-27-26-23(13-15-37(27,8)29(51-33(28)44)22-14-16-48-18-22)38(9)24(17-25(41)47-10)36(6,7)35(52-32(43)20(4)12-2)39(46,34(38)45)30(26)49-21(5)40/h11-12,14,16,18,23-24,28-30,35,46H,13,15,17H2,1-10H3/b19-11+,20-12+/t23-,24-,28+,29+,30-,35-,37+,38+,39-/m0/s1 |
| InChIKey | YEURVUNYHQSCIT-ARQFJYRKSA-N |
| Mol Weight | 724.8 g/mol |
| Molecular Formula | C39H48O13 |
| Exact Mass | 724.309492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LC0AnFVa1mJ |
|---|---|
| Name | TRICHINENLIDE_S |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H48O13 |
| InChI | InChI=1S/C39H48O13/c1-11-19(3)31(42)50-28-27-26-23(13-15-37(27,8)29(51-33(28)44)22-14-16-48-18-22)38(9)24(17-25(41)47-10)36(6,7)35(52-32(43)20(4)12-2)39(46,34(38)45)30(26)49-21(5)40/h11-12,14,16,18,23-24,28-30,35,46H,13,15,17H2,1-10H3/b19-11+,20-12+/t23-,24-,28+,29+,30-,35-,37+,38+,39-/m0/s1 |
| InChIKey | YEURVUNYHQSCIT-ARQFJYRKSA-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 | 724.802 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ43318 |