[(2R,3R,4aS,6aR,10aR,10bS)-3-Ethenyl-3,4a,7,7,10a-Pentamethyl-2,5,6,6a,8,9,10,10b-Octahydro-1H-Benzo[f]Chromen-2-Yl] Acetate
[CAS# 122551-69-3]

Identification

• Name: [(2R,3R,4aS,6aR,10aR,10bS)-3-Ethenyl-3,4a,7,7,10a-Pentamethyl-2,5,6,6a,8,9,10,10b-Octahydro-1H-Benzo[f]Chromen-2-Yl] Acetate
• Synonyms: [(2R,3R,4As,6Ar,10Ar,10Bs)-3,4A,7,7,10A-Pentamethyl-3-Vinyl-2,5,6,6A,8,9,10,10B-Octahydro-1H-Benzo[F]Chromen-2-Yl] Acetate; Acetic Acid [(2R,3R,4As,6Ar,10Ar,10Bs)-3,4A,7,7,10A-Pentamethyl-3-Vinyl-2,5,6,6A,8,9,10,10B-Octahydro-1H-Benzo[F]Chromen-2-Yl] Ester; [(2R,3R,4As,6Ar,10Ar,10Bs)-3-Ethenyl-3,4A,7,7,10A-Pentamethyl-2,5,6,6A,8,9,10,10B-Octahydro-1H-Benzo[F]Chromen-2-Yl] Ethanoate
• Molecular Formula: C₂₂H₃₆O₃
• Molecular Weight: 348.52
• CAS Registry Number: 122551-69-3
• SMILES: [C@@]12([C@@H](C[C@H]([C@@](O1)(C)C=C)OC(C)=O)[C@]3([C@H](CC2)C(CCC3)(C)C)C)C
• InChI: 1S/C22H36O3/c1-8-21(6)18(24-15(2)23)14-17-20(5)12-9-11-19(3,4)16(20)10-13-22(17,7)25-21/h8,16-18H,1,9-14H2,2-7H3/t16-,17+,18-,20-,21-,22+/m1/s1
• InChIKey: KZMQJOCDCYRIJB-PACCEGMYSA-N

Properties

• Density: 1.021g/cm³ (Cal.)
• Boiling point: 391.237°C at 760 mmHg (Cal.)
• Flash point: 164.994°C (Cal.)