(6S)-6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-Hydroxy-2,6,6-Trimethyl-1-Cyclohexenyl]-3,7,12,16-Tetramethyl-Octadeca-1,3,5,7,9,11,13,15-Octaen-17-Ynyl]-2,4,4-Trimethyl-Cyclohex-2-En-1-One
[CAS# 16913-24-9]

Identification

• Name: (6S)-6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-Hydroxy-2,6,6-Trimethyl-1-Cyclohexenyl]-3,7,12,16-Tetramethyl-Octadeca-1,3,5,7,9,11,13,15-Octaen-17-Ynyl]-2,4,4-Trimethyl-Cyclohex-2-En-1-One
• Molecular Formula: C₄₀H₅₂O₃
• Molecular Weight: 580.84
• CAS Registry Number: 16913-24-9
• SMILES: CC2(C)C[C@H](O)CC(\C)=C2\C#CC(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(/C)C(=O)[C@@H](O)CC1(C)C
• InChI: 1S/C40H52O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-20,22,24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37+/m1/s1
• InChIKey: ANEICJWUPVGZBQ-HEBVJZCOSA-N

Properties

• Density: 1.054g/cm³ (Cal.)
• Boiling point: 739.217°C at 760 mmHg (Cal.)
• Flash point: 414.799°C (Cal.)
• Refractive index: 1.572 (Cal.)