(Z)-2-Methyl-2-Butenoic Acid (4aR)-4,4a,5,6,7,8,8abeta,9-Octahydro-9alpha-Hydroxy-3,4abeta,5beta-Trimethylnaphtho[2,3-b]Furan-7alpha-Yl Ester
[CAS# 6902-62-1]

Identification

• Name: (Z)-2-Methyl-2-Butenoic Acid (4aR)-4,4a,5,6,7,8,8abeta,9-Octahydro-9alpha-Hydroxy-3,4abeta,5beta-Trimethylnaphtho[2,3-b]Furan-7alpha-Yl Ester
• Synonyms: [(4Ar,5S,7R,8As,9R)-9-Hydroxy-3,4A,5-Trimethyl-5,6,7,8,8A,9-Hexahydro-4H-Benzo[F][1]Benzoxol-7-Yl] 2-Methylbut-2-Enoate; [(4Ar,5S,7R,8As,9R)-9-Hydroxy-3,4A,5-Trimethyl-5,6,7,8,8A,9-Hexahydro-4H-Benzo[F]Benzofuran-7-Yl] 2-Methylbut-2-Enoate; [(4Ar,5S,7R,8As,9R)-9-Hydroxy-3,4A,5-Trimethyl-5,6,7,8,8A,9-Hexahydro-4H-Benzo[F]Benzofuran-7-Yl] (E)-2-Methylbut-2-Enoate
• Molecular Formula: C₂₀H₂₈O₄
• Molecular Weight: 332.44
• CAS Registry Number: 6902-62-1
• SMILES: [C@@]12(CC3=C([C@@H]([C@H]1C[C@H](OC(C(=C/C)/C)=O)C[C@@H]2C)O)OC=C3C)C
• InChI: 1S/C20H28O4/c1-6-11(2)19(22)24-14-7-13(4)20(5)9-15-12(3)10-23-18(15)17(21)16(20)8-14/h6,10,13-14,16-17,21H,7-9H2,1-5H3/b11-6+/t13-,14+,16+,17+,20+/m0/s1
• InChIKey: HTJLAOAUYDTOJA-PVILQAJRSA-N

Properties

• Density: 1.138g/cm³ (Cal.)
• Boiling point: 441.949°C at 760 mmHg (Cal.)
• Flash point: 221.083°C (Cal.)