| SpectraBase Compound ID | 489VkzBsgtX |
|---|---|
| InChI | InChI=1S/C40H66O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(41)46-27-30-25-31-34-32(38(34,4)5)24-29(3)39(37(31)44)26-28(2)35(42)40(39,45)36(30)43/h25-26,29,31-32,34-36,42-43,45H,6-24,27H2,1-5H3/t29-,31+,32-,34+,35+,36-,39+,40-/m1/s1 |
| InChIKey | ZGPVBQZLMAJRDK-OMTQSZCMSA-N |
| Mol Weight | 643.0 g/mol |
| Molecular Formula | C40H66O6 |
| Exact Mass | 642.48594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4mUg6ypXiXH |
|---|---|
| Name | 20-EICOSANOATE-INGENOL |
| Compound Number | 46 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H66O6 |
| InChI | InChI=1S/C40H66O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(41)46-27-30-25-31-34-32(38(34,4)5)24-29(3)39(37(31)44)26-28(2)35(42)40(39,45)36(30)43/h25-26,29,31-32,34-36,42-43,45H,6-24,27H2,1-5H3/t29-,31+,32-,34+,35+,36-,39+,40-/m1/s1 |
| InChIKey | ZGPVBQZLMAJRDK-OMTQSZCMSA-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 | 642.960 g/mol |
| Sample ID | 69926 |
| Solvent | CDCl3 |