| SpectraBase Compound ID | LUWRjAsykZK |
|---|---|
| InChI | InChI=1S/C34H52O8/c1-9-10-11-12-13-14-25(36)42-33-17-21(5)32-16-20(4)29(41-30(39)22(6)19(2)3)34(32,40)27(37)23(18-35)15-24(28(32)38)26(33)31(33,7)8/h15-16,19,21-22,24,26-27,29,35,37,40H,9-14,17-18H2,1-8H3/t21-,22?,24+,26-,27-,29+,32+,33+,34+/m1/s1 |
| InChIKey | HPALJQSDBYRKNK-YSKOKXEESA-N |
| Mol Weight | 588.8 g/mol |
| Molecular Formula | C34H52O8 |
| Exact Mass | 588.366219 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JF0W08eQILT |
|---|---|
| Name | 3-O-(2,3-DIMETHYLBUTANOYL)-13-OCTANOYLOXY-INGENOL |
| Compound Number | 69 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52O8 |
| InChI | InChI=1S/C34H52O8/c1-9-10-11-12-13-14-25(36)42-33-17-21(5)32-16-20(4)29(41-30(39)22(6)19(2)3)34(32,40)27(37)23(18-35)15-24(28(32)38)26(33)31(33,7)8/h15-16,19,21-22,24,26-27,29,35,37,40H,9-14,17-18H2,1-8H3/t21-,22?,24+,26-,27-,29+,32+,33+,34+/m1/s1 |
| InChIKey | HPALJQSDBYRKNK-YSKOKXEESA-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 | 588.782 g/mol |
| Sample ID | 69949 |
| Solvent | CDCl3 |