(5Z,13Z)-1,21-Dihydroxy-17-(1-Hydroxyethyl)-5,13-Bis(2-Methoxy-2-Oxoethylidene)-10,10,26,26-Tetramethyl-19-Oxo-18,27,28,29-Tetraoxatetracyclo[21.3.1.1^3,7.1^11,15]Nonacosa-8,11-Dien-25-Yl Pivalate
[CAS# 173075-49-5]

Identification

• Name: (5Z,13Z)-1,21-Dihydroxy-17-(1-Hydroxyethyl)-5,13-Bis(2-Methoxy-2-Oxoethylidene)-10,10,26,26-Tetramethyl-19-Oxo-18,27,28,29-Tetraoxatetracyclo[21.3.1.1^3,7.1^11,15]Nonacosa-8,11-Dien-25-Yl Pivalate
• Molecular Formula: C₄₂H₆₂O₁₄
• Molecular Weight: 790.93
• CAS Registry Number: 173075-49-5
• SMILES: O=C(OC)\C=C1/CC/3OC(C1)CC4(O)OC(CC(O)CC(=O)OC(C(O)C)CC2O/C(=C\C(=C/C(=O)OC)C2)C(/C=C\3)(C)C)CC(OC(=O)C(C)(C)C)C4(C)C
• InChI: 1S/C42H62O14/c1-24(43)32-21-29-14-26(18-36(46)51-10)16-33(53-29)40(5,6)12-11-28-13-25(17-35(45)50-9)15-31(52-28)23-42(49)41(7,8)34(55-38(48)39(2,3)4)22-30(56-42)19-27(44)20-37(47)54-32/h11-12,16-18,24,27-32,34,43-44,49H,13-15,19-23H2,1-10H3/b12-11+,25-17+,26-18-
• InChIKey: QMDQQCXRPALIRV-PFYTZYEYSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 874.629°C at 760 mmHg (Cal.)
• Flash point: 254.452°C (Cal.)
• Refractive index: 1.555 (Cal.)