| SpectraBase Compound ID | 2Cms9AMtSa1 |
|---|---|
| InChI | InChI=1S/C36H44O14/c1-10-16(2)28(40)50-32-33(5,6)25(24(30(42)45-9)47-17(3)37)35(8)20-11-13-34(7)22(21(20)27(48-18(4)38)36(32,44)31(35)43)23(39)29(41)49-26(34)19-12-14-46-15-19/h10,12,14-15,20,23-27,32,39,44H,11,13H2,1-9H3/b16-10+/t20-,23+,24?,25-,26+,27-,32-,34+,35+,36-/m0/s1 |
| InChIKey | JORNFRMQMMOOER-UFTYFPPASA-N |
| Mol Weight | 700.7 g/mol |
| Molecular Formula | C36H44O14 |
| Exact Mass | 700.273106 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5AVagTJVPmF |
|---|---|
| Name | TRICHINENLIDE_M |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H44O14 |
| InChI | InChI=1S/C36H44O14/c1-10-16(2)28(40)50-32-33(5,6)25(24(30(42)45-9)47-17(3)37)35(8)20-11-13-34(7)22(21(20)27(48-18(4)38)36(32,44)31(35)43)23(39)29(41)49-26(34)19-12-14-46-15-19/h10,12,14-15,20,23-27,32,39,44H,11,13H2,1-9H3/b16-10+/t20-,23+,24?,25-,26+,27-,32-,34+,35+,36-/m0/s1 |
| InChIKey | JORNFRMQMMOOER-UFTYFPPASA-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 | 700.737 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ43312 |