2-Methyl-2-Butenoic Acid 6-(Acetyloxy)-2,3,3A,4,5,6,6A,7,8,9B-Decahydro-3,3A-Dihydroxy-3,6,9-Trimethyl-4-(2-Methyl-1-Oxobutoxy)-7-(3-Methyl-1-Oxobutoxy)-2-Oxoazuleno(4,5-b)Furan-8-Yl Ester
[CAS# 81127-21-1]

Identification

• Name: 2-Methyl-2-Butenoic Acid 6-(Acetyloxy)-2,3,3A,4,5,6,6A,7,8,9B-Decahydro-3,3A-Dihydroxy-3,6,9-Trimethyl-4-(2-Methyl-1-Oxobutoxy)-7-(3-Methyl-1-Oxobutoxy)-2-Oxoazuleno(4,5-b)Furan-8-Yl Ester
• Synonyms: [(3R,3As,4R,6R,6As,7R,8R,9Br)-6-Acetoxy-3,3A-Dihydroxy-3,6,9-Trimethyl-4-(2-Methylbutanoyloxy)-7-(3-Methylbutanoyloxy)-2-Oxo-4,5,6A,7,8,9B-Hexahydroazuleno[4,5-B]Furan-8-Yl] (Z)-2-Methylbut-2-Enoate; (Z)-2-Methylbut-2-Enoic Acid [(3R,3As,4R,6R,6As,7R,8R,9Br)-6-Acetoxy-3,3A-Dihydroxy-3,6,9-Trimethyl-4-(2-Methyl-1-Oxobutoxy)-7-(3-Methyl-1-Oxobutoxy)-2-Oxo-4,5,6A,7,8,9B-Hexahydroazuleno[4,5-B]Furan-8-Yl] Ester; (Z)-2-Methylbut-2-Enoic Acid [(3R,3As,4R,6R,6As,7R,8R,9Br)-6-Acetoxy-3,3A-Dihydroxy-7-Isovaleryloxy-2-Keto-3,6,9-Trimethyl-4-(2-Methylbutanoyloxy)-4,5,6A,7,8,9B-Hexahydroazuleno[4,5-B]Furan-8-Yl] Ester
• Molecular Formula: C₃₂H₄₆O₁₂
• Molecular Weight: 622.71
• CAS Registry Number: 81127-21-1
• SMILES: [C@@]23([C@@H](C1=C([C@@H](OC(C(=C/C)\C)=O)[C@@H]([C@H]1[C@@](C[C@H]2OC(=O)C(CC)C)(OC(=O)C)C)OC(=O)CC(C)C)C)OC([C@@]3(O)C)=O)O
• InChI: 1S/C32H46O12/c1-11-16(5)27(35)40-20-14-30(9,44-19(8)33)23-22(26-32(20,39)31(10,38)29(37)43-26)18(7)24(42-28(36)17(6)12-2)25(23)41-21(34)13-15(3)4/h12,15-16,20,23-26,38-39H,11,13-14H2,1-10H3/b17-12-/t16?,20-,23+,24-,25-,26-,30-,31+,32+/m1/s1
• InChIKey: XHFQVCZACDPUSC-OWKZXDOKSA-N

Properties

• Density: 1.258g/cm³ (Cal.)
• Boiling point: 665.761°C at 760 mmHg (Cal.)
• Flash point: 200.989°C (Cal.)