| SpectraBase Compound ID | 65Lhni7nJ1x |
|---|---|
| InChI | InChI=1S/C41H56O10/c1-8-9-10-11-15-18-31(43)51-40-21-26(5)39-20-25(4)35(50-36(46)27(6)24(2)3)41(39,48)33(44)29(22-42)19-30(34(39)45)32(40)38(40,7)23-49-37(47)28-16-13-12-14-17-28/h12-14,16-17,19-20,24,26-27,30,32-33,35,42,44,48H,8-11,15,18,21-23H2,1-7H3/t26-,27?,30+,32-,33-,35+,38+,39+,40+,41+/m1/s1 |
| InChIKey | CUYKVUJKVDEFEP-DBUMOUONSA-N |
| Mol Weight | 708.9 g/mol |
| Molecular Formula | C41H56O10 |
| Exact Mass | 708.387348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KM3C9LMVf3R |
|---|---|
| Name | 17-BENZOYLOXY-3-O-(2,3-DIMETHYLBUTANOYL)-13-OCTANOYLOXY-INGENOL |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H56O10 |
| InChI | InChI=1S/C41H56O10/c1-8-9-10-11-15-18-31(43)51-40-21-26(5)39-20-25(4)35(50-36(46)27(6)24(2)3)41(39,48)33(44)29(22-42)19-30(34(39)45)32(40)38(40,7)23-49-37(47)28-16-13-12-14-17-28/h12-14,16-17,19-20,24,26-27,30,32-33,35,42,44,48H,8-11,15,18,21-23H2,1-7H3/t26-,27?,30+,32-,33-,35+,38+,39+,40+,41+/m1/s1 |
| InChIKey | CUYKVUJKVDEFEP-DBUMOUONSA-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 | 708.890 g/mol |
| Sample ID | 42739 |
| Solvent | CDCl3 |