[(3S,3aR,4S,6S,6aS,9aS,9bS)-3-Acetyloxy-6-Hydroxy-3,6,9-Trimethyl-2-Oxo-4,5,6a,7,9a,9b-Hexahydro-3aH-Azuleno[5,4-d]Furan-4-Yl] (Z)-2-Methylbut-2-Enoate
[CAS# 38114-47-5]

Identification

• Name: [(3S,3aR,4S,6S,6aS,9aS,9bS)-3-Acetyloxy-6-Hydroxy-3,6,9-Trimethyl-2-Oxo-4,5,6a,7,9a,9b-Hexahydro-3aH-Azuleno[5,4-d]Furan-4-Yl] (Z)-2-Methylbut-2-Enoate
• Synonyms: [(3S,3Ar,4S,6S,6As,9As,9Bs)-3-Acetoxy-6-Hydroxy-3,6,9-Trimethyl-2-Oxo-4,5,6A,7,9A,9B-Hexahydro-3Ah-Azuleno[5,4-D]Furan-4-Yl] (Z)-2-Methylbut-2-Enoate; (Z)-2-Methylbut-2-Enoic Acid [(3S,3Ar,4S,6S,6As,9As,9Bs)-3-Acetoxy-6-Hydroxy-3,6,9-Trimethyl-2-Oxo-4,5,6A,7,9A,9B-Hexahydro-3Ah-Azuleno[5,4-D]Furan-4-Yl] Ester; (Z)-2-Methylbut-2-Enoic Acid [(3S,3Ar,4S,6S,6As,9As,9Bs)-3-Acetoxy-6-Hydroxy-2-Keto-3,6,9-Trimethyl-4,5,6A,7,9A,9B-Hexahydro-3Ah-Azuleno[5,4-D]Furan-4-Yl] Ester
• Molecular Formula: C₂₂H₃₀O₇
• Molecular Weight: 406.47
• CAS Registry Number: 38114-47-5
• SMILES: [C@]3([C@H]2[C@H]([C@H]1[C@H](CC=C1C)[C@](C[C@@H]2OC(C(=C/C)\C)=O)(O)C)OC3=O)(OC(=O)C)C
• InChI: 1S/C22H30O7/c1-7-11(2)19(24)27-15-10-21(5,26)14-9-8-12(3)16(14)18-17(15)22(6,20(25)28-18)29-13(4)23/h7-8,14-18,26H,9-10H2,1-6H3/b11-7-/t14-,15-,16+,17+,18-,21-,22-/m0/s1
• InChIKey: LCVDISRHEKGNOL-TVCRMXSMSA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Boiling point: 532.599°C at 760 mmHg (Cal.)
• Flash point: 178.765°C (Cal.)