Spheroidenone
[CAS# 13836-70-9]

Identification

• Name: Spheroidenone
• Synonyms: (4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2-Methoxy-2,6,10,14,19,23,27,31-Octamethyl-Dotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-Dodecaen-3-One; C15903; .Psi.,.Psi.-Carotene, 3,4-Didehydro-1,2,7',8'-Tetrahydro-1-Methoxy-2-Oxo-
• Molecular Formula: C₄₁H₅₈O₂
• Molecular Weight: 582.91
• CAS Registry Number: 13836-70-9
• SMILES: C(/C=C(/CCC=C(C)C)C)C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\C(C(OC)(C)C)=O)C)C)C)C)C
• InChI: 1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h12-13,15-16,18-21,23-27,29-32H,14,17,22,28H2,1-11H3/b13-12+,23-15+,24-16+,29-18+,32-31+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
• InChIKey: ZQFURSYWJPLAJR-FZFXUSNISA-N

Properties

• Density: 0.924g/cm³ (Cal.)
• Boiling point: 692.871°C at 760 mmHg (Cal.)
• Flash point: 204.751°C (Cal.)