[(3R,3aS,4S,8aS)-3-Hydroxy-6,8a-Dimethyl-8-Oxo-3-Propan-2-Yl-2,3a,4,5-Tetrahydro-1H-Azulen-4-Yl] (Z)-2-Methylbut-2-Enoate
[CAS# 79863-24-4]

Identification

• Name: [(3R,3aS,4S,8aS)-3-Hydroxy-6,8a-Dimethyl-8-Oxo-3-Propan-2-Yl-2,3a,4,5-Tetrahydro-1H-Azulen-4-Yl] (Z)-2-Methylbut-2-Enoate
• Synonyms: [(3R,3As,4S,8As)-3-Hydroxy-3-Isopropyl-6,8A-Dimethyl-8-Oxo-2,3A,4,5-Tetrahydro-1H-Azulen-4-Yl] (Z)-2-Methylbut-2-Enoate; (Z)-2-Methylbut-2-Enoic Acid [(3R,3As,4S,8As)-3-Hydroxy-3-Isopropyl-6,8A-Dimethyl-8-Oxo-2,3A,4,5-Tetrahydro-1H-Azulen-4-Yl] Ester; (Z)-2-Methylbut-2-Enoic Acid [(3R,3As,4S,8As)-3-Hydroxy-3-Isopropyl-8-Keto-6,8A-Dimethyl-2,3A,4,5-Tetrahydro-1H-Azulen-4-Yl] Ester
• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.45
• CAS Registry Number: 79863-24-4
• SMILES: [C@H]12[C@@](C(C=C(C[C@@H]1OC(C(=C/C)\C)=O)C)=O)(CC[C@]2(C(C)C)O)C
• InChI: 1S/C20H30O4/c1-7-14(5)18(22)24-15-10-13(4)11-16(21)19(6)8-9-20(23,12(2)3)17(15)19/h7,11-12,15,17,23H,8-10H2,1-6H3/b14-7-/t15-,17+,19+,20+/m0/s1
• InChIKey: YMWBTMBPEHUMBA-GULXXORSSA-N

Properties

• Density: 1.092g/cm³ (Cal.)
• Boiling point: 443.807°C at 760 mmHg (Cal.)
• Flash point: 147.93°C (Cal.)