Caryoptin
[CAS# 50645-63-1]

Identification

• Name: Caryoptin
• Synonyms: [(1S,3R,4S,4Ar,7R,8R,8Ar)-4-[(2S,3As,6As)-2,3,3A,6A-Tetrahydrofuro[5,4-B]Furan-2-Yl]-7-Acetoxy-8A-(Acetoxymethyl)-3,4-Dimethyl-Spiro[Decalin-8,2'-Oxirane]-1-Yl] Acetate; Acetic Acid [(1S,3R,4S,4Ar,7R,8R,8Ar)-4-[(2S,3As,6As)-2,3,3A,6A-Tetrahydrofuro[5,4-B]Furan-2-Yl]-7-Acetoxy-8A-(Acetoxymethyl)-3,4-Dimethyl-1-Spiro[Decalin-8,2'-Oxirane]Yl] Ester; Acetic Acid [(1S,3R,4S,4Ar,7R,8R,8Ar)-4-[(2S,3As,6As)-2,3,3A,6A-Tetrahydrofuro[5,4-B]Furan-2-Yl]-7-Acetoxy-8A-(Acetoxymethyl)-3,4-Dimethyl-Spiro[Decalin-8,2'-Oxirane]-1-Yl] Ester
• Molecular Formula: C₂₆H₃₆O₉
• Molecular Weight: 492.57
• CAS Registry Number: 50645-63-1
• SMILES: [C@@]14([C@@H]([C@]([C@@H](C[C@@H]1OC(=O)C)C)([C@H]3O[C@@H]2OC=C[C@@H]2C3)C)CC[C@@H](OC(=O)C)[C@@]45OC5)COC(=O)C
• InChI: 1S/C26H36O9/c1-14-10-22(34-17(4)29)25(12-31-15(2)27)19(6-7-20(33-16(3)28)26(25)13-32-26)24(14,5)21-11-18-8-9-30-23(18)35-21/h8-9,14,18-23H,6-7,10-13H2,1-5H3/t14-,18-,19-,20-,21+,22+,23+,24+,25+,26-/m1/s1
• InChIKey: QVORLEZTALRJNW-SHZKAIFQSA-N

Properties

• Density: 1.275g/cm³ (Cal.)
• Boiling point: 564.765°C at 760 mmHg (Cal.)
• Flash point: 239.83°C (Cal.)