| SpectraBase Compound ID | 1AgUxfDx3KI |
|---|---|
| InChI | InChI=1S/C46H54O13/c1-24-21-32-43(52)35(24)55-33(48)18-12-11-17-31(54-39(49)27-13-7-5-8-14-27)30-20-19-28(25(30)2)22-41(4,51)45(53)36-26(3)44(32)34(37-42(23-47,56-37)40(43)50)38(45)58-46(57-36,59-44)29-15-9-6-10-16-29/h5-18,24-26,28,30-32,34-38,40,47,50-53H,19-23H2,1-4H3/b17-11?,18-12+/t24-,25-,26+,28+,30-,31-,32+,34-,35-,36-,37-,38+,40+,41+,42-,43+,44-,45+,46+/m0/s1 |
| InChIKey | ZDIWBBJUVBDSOV-XXXCCHMSSA-N |
| Mol Weight | 814.9 g/mol |
| Molecular Formula | C46H54O13 |
| Exact Mass | 814.356442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Z1Lap7G0yQ |
|---|---|
| Name | TRIGONOSIN_F |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H54O13 |
| InChI | InChI=1S/C46H54O13/c1-24-21-32-43(52)35(24)55-33(48)18-12-11-17-31(54-39(49)27-13-7-5-8-14-27)30-20-19-28(25(30)2)22-41(4,51)45(53)36-26(3)44(32)34(37-42(23-47,56-37)40(43)50)38(45)58-46(57-36,59-44)29-15-9-6-10-16-29/h5-18,24-26,28,30-32,34-38,40,47,50-53H,19-23H2,1-4H3/b17-11?,18-12+/t24-,25-,26+,28+,30-,31-,32+,34-,35-,36-,37-,38+,40+,41+,42-,43+,44-,45+,46+/m0/s1 |
| InChIKey | ZDIWBBJUVBDSOV-XXXCCHMSSA-N |
| Literature Reference Author | S.F.LI,Y.T.DI,S.L.LI,Y.ZHANG,F.M.YANG,Q.Y.SUN,J.M.SIMO,H.P.H E,X.J.HAO |
| Literature Reference Citation | J.NAT.PROD.,74,464(2011) |
| Literature Reference DOI | 10.1021/np1006444 |
| Molecular Weight | 814.927 g/mol |
| Sample ID | 37606 |
| Solvent | CDCl3 |