6,7-Epoxy-13-Hydroxyingenol-3-(2,3-Dimethylbutanoate)-13-Dodecanoate-20-Hexadecanoate
[CAS# 135928-39-1]

Identification

• Name: 6,7-Epoxy-13-Hydroxyingenol-3-(2,3-Dimethylbutanoate)-13-Dodecanoate-20-Hexadecanoate
• Synonyms: Hexadecanoic Acid, (8-(2,3-Dimethyl-1-Oxobutoxy)-1A,2,2A,3A,4,5,8A,9-Octahydro-8A,9-Dihydroxy-3,3,5,7-Tetramethyl-10-Oxo-3A-((1-Oxododecyl)Oxy)-3H-2,5A-Methanocyclopenta(4,5)Cyclopropa(8,9)Cyclodec(1,2-B)Oxiren-9A(8H)-Yl)Methyl Ester; Kansuiphorin B
• Molecular Formula: C₅₄H₉₀O₁₀
• Molecular Weight: 899.30
• CAS Registry Number: 135928-39-1
• SMILES: C(OC(=O)CCCCCCCCCCCCCCC)C3=CC4C(=O)C2(C(O)(C1(OC1(C2)C)OC(=O)C(C(C)C)C)C3O)C(CC5(OC(=O)CCCCCCCCCCC)C4C5(C)C)C
• InChI: 1S/C54H90O10/c1-10-12-14-16-18-20-21-22-23-25-26-28-30-32-43(55)61-36-41-34-42-45-49(7,8)52(45,62-44(56)33-31-29-27-24-19-17-15-13-11-2)35-39(5)51(47(42)58)37-50(9)54(64-50,53(51,60)46(41)57)63-48(59)40(6)38(3)4/h34,38-40,42,45-46,57,60H,10-33,35-37H2,1-9H3
• InChIKey: HHACYVPWGSDXCM-UHFFFAOYSA-N

Properties

• Density: 1.105g/cm³ (Cal.)
• Boiling point: 836.494°C at 760 mmHg (Cal.)
• Flash point: 220.522°C (Cal.)