| SpectraBase Compound ID | 2PKKCmvwoK1 |
|---|---|
| InChI | InChI=1S/C38H44O12/c1-19(2)35(43)30-21(4)37-26-18-20(3)29(45-22(5)39)36(26,44)33(46-23(6)40)34(7,49-32(42)24-14-10-8-11-15-24)28(41)27(37)31(35)48-38(47-30,50-37)25-16-12-9-13-17-25/h8-17,20-21,26-31,33,41,43-44H,1,18H2,2-7H3/t20-,21-,26+,27-,28-,29-,30-,31+,33+,34+,35-,36+,37-,38+/m0/s1 |
| InChIKey | DBZRNVHEUFWTLZ-RTGCUARQSA-N |
| Mol Weight | 692.8 g/mol |
| Molecular Formula | C38H44O12 |
| Exact Mass | 692.283277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2PvyrmODYHQ |
|---|---|
| Name | TRIGOHOWNIN_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H44O12 |
| InChI | InChI=1S/C38H44O12/c1-19(2)35(43)30-21(4)37-26-18-20(3)29(45-22(5)39)36(26,44)33(46-23(6)40)34(7,49-32(42)24-14-10-8-11-15-24)28(41)27(37)31(35)48-38(47-30,50-37)25-16-12-9-13-17-25/h8-17,20-21,26-31,33,41,43-44H,1,18H2,2-7H3/t20-,21-,26+,27-,28-,29-,30-,31+,33+,34+,35-,36+,37-,38+/m0/s1 |
| InChIKey | DBZRNVHEUFWTLZ-RTGCUARQSA-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 | 692.760 g/mol |
| Sample ID | 38323 |
| Solvent | CDCl3 |