Zeacarotene
[CAS# 514-89-6]

Identification

• Name: Zeacarotene
• Synonyms: (6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-Hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-Decaenyl]-1,5,5-Trimethyl-Cyclohexene; Lmpr01070199; Alpha-Zeacarotene/ 7',8'-Dihydro-Delta-Carotene
• Molecular Formula: C₄₀H₅₈
• Molecular Weight: 538.90
• CAS Registry Number: 514-89-6
• SMILES: [C@H]1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/CC/C=C(/CCC=C(C)C)C)C)C)C)C)C(=CCCC1(C)C)C
• InChI: 1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27-30,39H,13,15,17,21,26,31H2,1-10H3/b12-11+,22-14+,23-16+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m0/s1
• InChIKey: IGABZIVJSNQMPZ-DWQNOKSTSA-N

Properties

• Density: 0.905g/cm³ (Cal.)
• Boiling point: 637.978°C at 760 mmHg (Cal.)
• Flash point: 339.174°C (Cal.)