| SpectraBase Compound ID | 6vxwWEkWsG7 |
|---|---|
| InChI | InChI=1S/C39H52O10/c1-20(2)24(7)33(43)48-32-22(5)16-37-23(6)17-38(49-34(44)25(8)21(3)4)29(28(31(37)42)15-27(18-40)30(41)39(32,37)46)36(38,9)19-47-35(45)26-13-11-10-12-14-26/h10-16,20-21,23-25,28-30,32,40-41,46H,17-19H2,1-9H3/t23-,24?,25?,28+,29-,30-,32+,36+,37+,38+,39+/m1/s1 |
| InChIKey | HADFPJZAMCBSPP-GZKADBAMSA-N |
| Mol Weight | 680.8 g/mol |
| Molecular Formula | C39H52O10 |
| Exact Mass | 680.356048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JXociu1iRtJ |
|---|---|
| Name | 17-BENZOYLOXY-3-O-(2,3-DIMETHYLBUTANOYL)-13-(2,3-DIMETHYLBUTANOYLOXY)-INGENOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H52O10 |
| InChI | InChI=1S/C39H52O10/c1-20(2)24(7)33(43)48-32-22(5)16-37-23(6)17-38(49-34(44)25(8)21(3)4)29(28(31(37)42)15-27(18-40)30(41)39(32,37)46)36(38,9)19-47-35(45)26-13-11-10-12-14-26/h10-16,20-21,23-25,28-30,32,40-41,46H,17-19H2,1-9H3/t23-,24?,25?,28+,29-,30-,32+,36+,37+,38+,39+/m1/s1 |
| InChIKey | HADFPJZAMCBSPP-GZKADBAMSA-N |
| Literature Reference Author | Z.Q.LU,M.YANG,J.Q.ZHANG,G.T.CHEN,H.L.HUANG,S.H.GUAN,C.MA,X.L IU,D.A.GUO |
| Literature Reference Citation | PHYTOCHEM.,69,812(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.09.013 |
| Molecular Weight | 680.836 g/mol |
| Sample ID | 42733 |
| Solvent | CDCl3 |