| SpectraBase Compound ID | 6i3ezF1M4tj |
|---|---|
| InChI | InChI=1S/C41H56O10/c1-8-9-10-11-15-18-31(42)51-40-21-26(5)39-20-25(4)33(43)41(39,48)34(44)29(22-49-36(46)27(6)24(2)3)19-30(35(39)45)32(40)38(40,7)23-50-37(47)28-16-13-12-14-17-28/h12-14,16-17,19-20,24,26-27,30,32-34,43-44,48H,8-11,15,18,21-23H2,1-7H3/t26-,27?,30+,32-,33+,34-,38+,39+,40+,41-/m1/s1 |
| InChIKey | BZHZKTXZUYERIW-GXBSMTPLSA-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 | JDLKxw3XCLz |
|---|---|
| Name | 17-BENZOYLOXY-20-O-(2,3-DIMETHYLBUTANOYL)-13-OCTANOYLOXY-INGENOL |
| Compound Number | 74 |
| Copyright | Copyright © 2016-2024 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(42)51-40-21-26(5)39-20-25(4)33(43)41(39,48)34(44)29(22-49-36(46)27(6)24(2)3)19-30(35(39)45)32(40)38(40,7)23-50-37(47)28-16-13-12-14-17-28/h12-14,16-17,19-20,24,26-27,30,32-34,43-44,48H,8-11,15,18,21-23H2,1-7H3/t26-,27?,30+,32-,33+,34-,38+,39+,40+,41-/m1/s1 |
| InChIKey | BZHZKTXZUYERIW-GXBSMTPLSA-N |
| Literature Reference Author | Q.C.WU,Y.P.TANG,A.W.DING,F.Q.YOU,L.ZHANG,J.A.DUAN |
| Literature Reference Citation | MOLECULES,14,4454(2009) |
| Literature Reference DOI | 10.3390/molecules14114454 |
| Molecular Weight | 708.890 g/mol |
| Sample ID | 69954 |
| Solvent | CDCl3 |