| SpectraBase Compound ID | LTZfqKL95RG |
|---|---|
| InChI | InChI=1S/C40H46O13/c1-20(2)37(46)31-22(4)38-28-19-21(3)30(47-23(5)41)39(28,49-25(7)43)35(45)36(8,52-34(44)26-15-11-9-12-16-26)32(48-24(6)42)29(38)33(37)51-40(50-31,53-38)27-17-13-10-14-18-27/h9-18,21-22,28-33,35,45-46H,1,19H2,2-8H3/t21-,22+,28-,29-,30-,31-,32-,33+,35+,36+,37-,38-,39+,40+/m0/s1 |
| InChIKey | CMGMKUFDWUSAQX-LBZCFDSCSA-N |
| Mol Weight | 734.8 g/mol |
| Molecular Formula | C40H46O13 |
| Exact Mass | 734.293842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6TXX14I2ZED |
|---|---|
| Name | TRIGOHOWNIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H46O13 |
| InChI | InChI=1S/C40H46O13/c1-20(2)37(46)31-22(4)38-28-19-21(3)30(47-23(5)41)39(28,49-25(7)43)35(45)36(8,52-34(44)26-15-11-9-12-16-26)32(48-24(6)42)29(38)33(37)51-40(50-31,53-38)27-17-13-10-14-18-27/h9-18,21-22,28-33,35,45-46H,1,19H2,2-8H3/t21-,22+,28-,29-,30-,31-,32-,33+,35+,36+,37-,38-,39+,40+/m0/s1 |
| InChIKey | CMGMKUFDWUSAQX-LBZCFDSCSA-N |
| Literature Reference Author | S.H.DONG,C.R.ZHANG,C.H.XU,J.DING,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,74,1255(2011) |
| Literature Reference DOI | 10.1021/np200231u |
| Molecular Weight | 734.797 g/mol |
| Sample ID | 38321 |
| Solvent | CDCl3 |