| SpectraBase Compound ID | KADF6GC5Aj3 |
|---|---|
| InChI | InChI=1S/C41H50O15/c1-12-19(3)32(44)54-27-26-25-24(14-16-39(26,9)30(55-35(27)47)23-15-17-51-18-23)40(10)29(28(34(46)50-11)52-21(5)42)38(7,8)37(56-33(45)20(4)13-2)41(49,36(40)48)31(25)53-22(6)43/h12-13,15,17-18,24,27-31,37,49H,14,16H2,1-11H3/b19-12+,20-13+/t24-,27+,28?,29-,30+,31-,37-,39+,40+,41-/m0/s1 |
| InChIKey | XUZRNYVCMODURX-WVYFMRMKSA-N |
| Mol Weight | 782.8 g/mol |
| Molecular Formula | C41H50O15 |
| Exact Mass | 782.314971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LGedGdmYRnD |
|---|---|
| Name | TRICHINENLIDE_R |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H50O15 |
| InChI | InChI=1S/C41H50O15/c1-12-19(3)32(44)54-27-26-25-24(14-16-39(26,9)30(55-35(27)47)23-15-17-51-18-23)40(10)29(28(34(46)50-11)52-21(5)42)38(7,8)37(56-33(45)20(4)13-2)41(49,36(40)48)31(25)53-22(6)43/h12-13,15,17-18,24,27-31,37,49H,14,16H2,1-11H3/b19-12+,20-13+/t24-,27+,28?,29-,30+,31-,37-,39+,40+,41-/m0/s1 |
| InChIKey | XUZRNYVCMODURX-WVYFMRMKSA-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 | 782.839 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ43317 |