| SpectraBase Compound ID | 82sWrPRQxi8 |
|---|---|
| InChI | InChI=1S/C37H54O6/c1-8-9-10-11-12-13-14-15-16-17-18-19-29(38)42-32-24(2)22-36-25(3)20-28-30(34(28,4)5)27(31(36)39)21-26-23-41-35(6,7)43-33(26)37(32,36)40/h16-19,21-22,25,27-28,30,32-33,40H,8-15,20,23H2,1-7H3/b17-16-,19-18+/t25-,27+,28-,30+,32+,33-,36+,37-/m1/s1 |
| InChIKey | CXWDSYXIHSDKFM-VEKSLWJDSA-N |
| Mol Weight | 594.8 g/mol |
| Molecular Formula | C37H54O6 |
| Exact Mass | 594.392039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4cZ70fYh8Y |
|---|---|
| Name | 5,20-O-ISOPROPYLIDENYL-INGENOL-3-O-(2'E,4'Z)-TETRADECADIENOATE |
| Compound Number | 59 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H54O6 |
| InChI | InChI=1S/C37H54O6/c1-8-9-10-11-12-13-14-15-16-17-18-19-29(38)42-32-24(2)22-36-25(3)20-28-30(34(28,4)5)27(31(36)39)21-26-23-41-35(6,7)43-33(26)37(32,36)40/h16-19,21-22,25,27-28,30,32-33,40H,8-15,20,23H2,1-7H3/b17-16-,19-18+/t25-,27+,28-,30+,32+,33-,36+,37-/m1/s1 |
| InChIKey | CXWDSYXIHSDKFM-VEKSLWJDSA-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 | 594.832 g/mol |
| Sample ID | 69939 |
| Solvent | CDCl3 |