| SpectraBase Compound ID | EfkgZgIyB5F |
|---|---|
| InChI | InChI=1S/C20H28O5/c1-11-12-5-6-15-18(2,7-4-8-19(15,3)17(22)23)14(12)10-20(24)13(11)9-16(21)25-20/h9,11-12,14-15,24H,4-8,10H2,1-3H3,(H,22,23)/t11-,12+,14+,15-,18-,19-,20-/m1/s1 |
| InChIKey | YWQJKAJFLCNHPB-LXTJJRHQSA-N |
| Mol Weight | 348.44 g/mol |
| Molecular Formula | C20H28O5 |
| Exact Mass | 348.193674 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G3CoK0WtLFI |
|---|---|
| Name | Dipteryxic acid |
| Appearance | Colorless crystals |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O5 |
| InChI | InChI=1S/C20H28O5/c1-11-12-5-6-15-18(2,7-4-8-19(15,3)17(22)23)14(12)10-20(24)13(11)9-16(21)25-20/h9,11-12,14-15,24H,4-8,10H2,1-3H3,(H,22,23)/t11-,12+,14+,15-,18-,19-,20-/m1/s1 |
| InChIKey | YWQJKAJFLCNHPB-LXTJJRHQSA-N |
| Instrument Name | Finnigan MAT 90/95 or JEOL GCmate II |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020522n |
| Molecular Weight | 348.439 g/mol |
| Optical Rotation | [a]D20 = -64 (c = 0.1, CHCl3-MeOH, 1:1) |
| Reported Formula | C20H28O5 |
| SMILES | OC([C@@]1(CCC[C@@]2([C@]3(C[C@@]4(C([C@@]([C@@]3(CC[C@@]12[H])[H])(C)[H])=CC(O4)=O)O)[H])C)C)=O |
| SPLASH | splash10-0w99-0489000000-49d3e2b37d1785bad7b0 |
| Source of Spectrum | G4-66-586-1 |
| Wiley ID | 1881392 |