4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-19-Hydroxy-19-(4-Hydroxy-1,2,2-Trimethylcyclopentyl)-3,7,12,16-Tetramethylnonadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-3,5,5-Trimethylcyclohex-3-En-1-Ol
[CAS# 33981-79-2]

Identification

• Name: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-19-Hydroxy-19-(4-Hydroxy-1,2,2-Trimethylcyclopentyl)-3,7,12,16-Tetramethylnonadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-3,5,5-Trimethylcyclohex-3-En-1-Ol
• Synonyms: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-19-Hydroxy-19-(4-Hydroxy-1,2,2-Trimethyl-Cyclopentyl)-3,7,12,16-Tetramethyl-Nonadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-3,5,5-Trimethyl-Cyclohex-3-En-1-Ol; 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-19-Hydroxy-19-(4-Hydroxy-1,2,2-Trimethylcyclopentyl)-3,7,12,16-Tetramethylnonadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-3,5,5-Trimethyl-1-Cyclohex-3-Enol; Capsanthol
• Molecular Formula: C₄₀H₅₈O₃
• Molecular Weight: 586.90
• CAS Registry Number: 33981-79-2
• SMILES: CC(/C=C/C1=C(CC(CC1(C)C)O)C)=C\C=C\C(=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(C2(CC(CC2(C)C)O)C)O)C
• InChI: 1S/C40H58O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,37,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
• InChIKey: SLVPCYNKKSBCNL-DKLMTRRASA-N

Properties

• Density: 1.013g/cm³ (Cal.)
• Boiling point: 725.374°C at 760 mmHg (Cal.)
• Flash point: 277.484°C (Cal.)