Peridinin
[CAS# 33281-81-1]

Identification

• Name: Peridinin
• Synonyms: [(1S,3R)-3-Hydroxy-4-[11-[4-[2-[(1S,4S,6R)-4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-1-Yl]Ethenyl]-5-Oxofuran-2-Ylidene]-3,10-Dimethylundeca-1,3,5,7,9-Pentaenylidene]-3,5,5-Trimethylcyclohexyl] Acetate; [(1S,3R)-3-Hydroxy-4-[(3E,5E,7E,9E,11Z)-11-[4-[(E)-2-[(1S,4S,6R)-4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-1-Yl]Vinyl]-5-Oxo-2-Furylidene]-3,10-Dimethyl-Undeca-1,3,5,7,9-Pentaenylidene]-3,5,5-Trimethyl-Cyclohexyl] Acetate; [(1S,3R)-3-Hydroxy-4-[11-[4-[2-[(1S,4S,6R)-4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-1-Yl]Vinyl]-5-Oxo-2-Furylidene]-3,10-Dimethyl-Undeca-1,3,5,7,9-Pentaenylidene]-3,5,5-Trimethyl-Cyclohexyl] Acetate
• Molecular Formula: C₃₉H₅₀O₇
• Molecular Weight: 630.82
• CAS Registry Number: 33281-81-1
• SMILES: [C@]12([C@](C[C@H](CC1(C)C)O)(C)O2)/C=C/C4=CC(=C/C(=C/C=C/C=C/C=C([CH]=[C]=[C]3[C@@](C[C@H](CC3(C)C)OC(=O)C)(O)C)\C)C)/OC4=O
• InChI: 1S/C39H50O7/c1-26(16-17-33-35(4,5)24-32(44-28(3)40)25-37(33,8)43)14-12-10-11-13-15-27(2)20-31-21-29(34(42)45-31)18-19-39-36(6,7)22-30(41)23-38(39,9)46-39/h10-16,18-21,30,32,41,43H,22-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,31-20-/t17?,30-,32-,37+,38+,39-/m0/s1
• InChIKey: UYRDHEJRPVSJFM-VSWVFQEASA-N

Properties

• Density: 1.161g/cm³ (Cal.)
• Boiling point: 764.499°C at 760 mmHg (Cal.)
• Flash point: 230.664°C (Cal.)