| SpectraBase Compound ID | LjBYTK09Ud4 |
|---|---|
| InChI | InChI=1S/C40H62O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34(42)47-39-25-29(3)40(45)32(35(39)37(39,5)6)24-31(27-46-30(4)41)26-38(44)33(40)23-28(2)36(38)43/h14-15,23-24,29,32-33,35,44-45H,7-13,16-22,25-27H2,1-6H3/b15-14-/t29-,32+,33-,35-,38-,39+,40-/m1/s1 |
| InChIKey | FRLZOANJBWVXPT-LWDNIVNZSA-N |
| Mol Weight | 654.9 g/mol |
| Molecular Formula | C40H62O7 |
| Exact Mass | 654.449554 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CyKNCcoKpA6 |
|---|---|
| Name | 12-DEOXYPHORBOL-13-(9Z)-OCTADECANOATE-20-ACETATE |
| Compound Number | 103 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H62O7 |
| InChI | InChI=1S/C40H62O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34(42)47-39-25-29(3)40(45)32(35(39)37(39,5)6)24-31(27-46-30(4)41)26-38(44)33(40)23-28(2)36(38)43/h14-15,23-24,29,32-33,35,44-45H,7-13,16-22,25-27H2,1-6H3/b15-14-/t29-,32+,33-,35-,38-,39+,40-/m1/s1 |
| InChIKey | FRLZOANJBWVXPT-LWDNIVNZSA-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 | 654.928 g/mol |
| Sample ID | 69983 |
| Solvent | CDCl3 |