| SpectraBase Compound ID | GBI9EQGdvPt |
|---|---|
| InChI | InChI=1S/C36H58O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(38)41-35-23-26(3)36(40)29-20-25(2)32(39)28(29)21-27(24-37)22-30(36)33(35)34(35,4)5/h20,22,26,28-30,33,37,40H,6-19,21,23-24H2,1-5H3/t26-,28-,29-,30+,33-,35+,36+/m1/s1 |
| InChIKey | MHCKFBXMZMDQED-MPNPSVEQSA-N |
| Mol Weight | 570.9 g/mol |
| Molecular Formula | C36H58O5 |
| Exact Mass | 570.428425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DoX9qfun3nB |
|---|---|
| Name | 4,12-DIDEOXY-(4-ALPHA)-PHORBOL-13-HEXADECANOATE |
| Compound Number | 99 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O5 |
| InChI | InChI=1S/C36H58O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(38)41-35-23-26(3)36(40)29-20-25(2)32(39)28(29)21-27(24-37)22-30(36)33(35)34(35,4)5/h20,22,26,28-30,33,37,40H,6-19,21,23-24H2,1-5H3/t26-,28-,29-,30+,33-,35+,36+/m1/s1 |
| InChIKey | MHCKFBXMZMDQED-MPNPSVEQSA-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 | 570.854 g/mol |
| Sample ID | 69979 |
| Solvent | CDCl3 |