| SpectraBase Compound ID | 1LUC7RDkOcx |
|---|---|
| InChI | InChI=1S/C36H46O12/c1-10-18(4)29(40)48-32-33(5,6)21(15-22(37)44-9)35(8)20-11-13-34(7)24(25(38)30(41)46-26(34)19-12-14-45-16-19)23(20)27(36(32,43)31(35)42)47-28(39)17(2)3/h10,12,14,16-17,20-21,25-27,32,38,43H,11,13,15H2,1-9H3/b18-10+/t20-,21-,25+,26+,27-,32-,34+,35+,36-/m0/s1 |
| InChIKey | STONXYGEXQFHEF-KRYAWTTFSA-N |
| Mol Weight | 670.8 g/mol |
| Molecular Formula | C36H46O12 |
| Exact Mass | 670.298927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HA7gvITA6Y0 |
|---|---|
| Name | TRICHINENLIDE_Q |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H46O12 |
| InChI | InChI=1S/C36H46O12/c1-10-18(4)29(40)48-32-33(5,6)21(15-22(37)44-9)35(8)20-11-13-34(7)24(25(38)30(41)46-26(34)19-12-14-45-16-19)23(20)27(36(32,43)31(35)42)47-28(39)17(2)3/h10,12,14,16-17,20-21,25-27,32,38,43H,11,13,15H2,1-9H3/b18-10+/t20-,21-,25+,26+,27-,32-,34+,35+,36-/m0/s1 |
| InChIKey | STONXYGEXQFHEF-KRYAWTTFSA-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 | 670.754 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ43316 |