139220-25-0 Purity
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Specification
PubChem CID 6537492.
The molecular formula of Annatto is C24H28O4.
The molecular weight of Annatto is 380.5 g/mol.
The IUPAC name of Annatto is (2E,4E,6E,8E,10E,12E,14E,16Z,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid.
The InChI of Annatto is InChI=1S/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)/b6-5+,11-7+,12-8+,17-15+,18-16+,19-9+,20-10+,21-13-,22-14+.
The InChIKey of Annatto is ZVKOASAVGLETCT-LRRSNBNMSA-N.
The canonical SMILES of Annatto is CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)O)C=CC=C(C)C=CC(=O)O.
The isomeric SMILES of Annatto is C/C(=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C(=O)O)/C=C/C=C(\C)/C=C/C(=O)O.
The CAS number of Annatto is 1393-63-1.
The FEMA number of Annatto is 2104.