Bis[(Z)-2-Methyl-2-Butenoic Acid](1R,8aR)-Decahydro-1,6alpha-Dihydroxy-3abeta,6-Dimethyl-1-(1-Methylethyl)-5-Oxo-4alpha,8alpha-Azulenediyl Ester
[CAS# 7067-12-1]

Identification

• Name: Bis[(Z)-2-Methyl-2-Butenoic Acid](1R,8aR)-Decahydro-1,6alpha-Dihydroxy-3abeta,6-Dimethyl-1-(1-Methylethyl)-5-Oxo-4alpha,8alpha-Azulenediyl Ester
• Synonyms: [(1R,3As,4S,6R,8S,8As)-1,6-Dihydroxy-1-Isopropyl-3A,6-Dimethyl-8-[(Z)-2-Methylbut-2-Enoyl]Oxy-5-Oxo-2,3,4,7,8,8A-Hexahydroazulen-4-Yl] (Z)-2-Methylbut-2-Enoate; (Z)-2-Methylbut-2-Enoic Acid [(1R,3As,4S,6R,8S,8As)-1,6-Dihydroxy-1-Isopropyl-3A,6-Dimethyl-8-[(Z)-2-Methyl-1-Oxobut-2-Enoxy]-5-Oxo-2,3,4,7,8,8A-Hexahydroazulen-4-Yl] Ester; (Z)-2-Methylbut-2-Enoic Acid [(1R,3As,4S,6R,8S,8As)-1,6-Dihydroxy-1-Isopropyl-5-Keto-3A,6-Dimethyl-8-[(Z)-2-Methylbut-2-Enoyl]Oxy-2,3,4,7,8,8A-Hexahydroazulen-4-Yl] Ester
• Molecular Formula: C₂₅H₃₈O₇
• Molecular Weight: 450.57
• CAS Registry Number: 7067-12-1
• SMILES: [C@]12([C@@H](C([C@@](O)(C)C[C@@H]([C@H]1[C@@](C(C)C)(O)CC2)OC(C(=C/C)\C)=O)=O)OC(C(=C/C)\C)=O)C
• InChI: 1S/C25H38O7/c1-9-15(5)21(27)31-17-13-24(8,29)19(26)20(32-22(28)16(6)10-2)23(7)11-12-25(30,14(3)4)18(17)23/h9-10,14,17-18,20,29-30H,11-13H2,1-8H3/b15-9-,16-10-/t17-,18+,20+,23-,24+,25+/m0/s1
• InChIKey: LYTPVRMVQVQYGM-NVWKHIKUSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 550.8±50.0°C at 760 mmHg (Cal.)
• Flash point: 175.5±23.6°C (Cal.)