13-Hydroxyingenol-3-(2,3-Dimethylbutanoate)-13-Dodecanoate-20-Hexadecanoate
[CAS# 135883-24-8]

Identification

• Name: 13-Hydroxyingenol-3-(2,3-Dimethylbutanoate)-13-Dodecanoate-20-Hexadecanoate
• Synonyms: Hexadecanoic Acid, (6-(2,3-Dimethyl-1-Oxobutoxy)-1A,2,5,5A,6,9,10,10A-Octahydro-5,5A-Dihydroxy-1,1,7,9-Tetramethyl-11-Oxo-10A-((1-Oxododecyl)Oxy)-1H-2,8A-Methanocyclopenta(A)Cyclopropa(E)Cyclodecen-4-Yl)Methyl Ester; Kansuiphorin A
• Molecular Formula: C₅₄H₉₀O₉
• Molecular Weight: 883.30
• CAS Registry Number: 135883-24-8
• SMILES: C(C4=CC1C(=O)C3(C(CC2(C1C2(C)C)OC(=O)CCCCCCCCCCC)C)C(C(OC(C(C(C)C)C)=O)C(=C3)C)(C4O)O)OC(=O)CCCCCCCCCCCCCCC
• InChI: 1S/C54H90O9/c1-10-12-14-16-18-20-21-22-23-25-26-28-30-32-44(55)61-37-42-34-43-46-51(8,9)53(46,63-45(56)33-31-29-27-24-19-17-15-13-11-2)36-40(6)52(48(43)58)35-39(5)49(54(52,60)47(42)57)62-50(59)41(7)38(3)4/h34-35,38,40-41,43,46-47,49,57,60H,10-33,36-37H2,1-9H3
• InChIKey: ILEDHBXLZDJQHK-UHFFFAOYSA-N

Properties

• Density: 1.077g/cm³ (Cal.)
• Boiling point: 828.129°C at 760 mmHg (Cal.)
• Flash point: 217.508°C (Cal.)