Shellac
| Chemical identification | |
|---|---|
| CAS identifier | 9000-59-3 |
| Pubchem identifier | 78421494 |
| DSSTox identifier | DTXSID00894648 |
| IUPAC name | 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylic acid 9,10,15-trihydroxypentadecanoic acid |
| Structure | 2D:2D MOL2D MOL22D SDF 3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT |
| SMILES | OCC1(C)C2CC3(C1CCC3C(=O)O)C(C=C2C(=O)O)O.OCCCCCC(C(CCCCCCCC(=O)O)O)O |
| InChI | InChI=1S/C15H20O6.C15H30O5/c1-14(6-16)9-5-15(11(17)4-7(9)12(18)19)8(13(20)21)2-3-10(14)15;16-12-8-4-6-10-14(18)13(17)9-5-2-1-3-7-11-15(19)20/h4,8-11,16-17H,2-3,5-6H2,1H3,(H,18,19)(H,20,21);13-14,16-18H,1-12H2,(H,19,20) |
| InChIKey | ZLGIYFNHBLSMPS-UHFFFAOYSA-N |
| Chemical classification | |
|---|---|
| Kingdom | Organic compounds |
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
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