2-Methylpropanoic Acid [(3S)-3beta,6alpha-Diacetoxy-2,3,3abeta,4,5,6,6aalpha,7,9aalpha,9bbeta-Decahydro-3,6,9-Trimethyl-2-Oxoazuleno[4,5-b]Furan-4beta-Yl] Ester
[CAS# 68799-88-2]

Identification

• Name: 2-Methylpropanoic Acid [(3S)-3beta,6alpha-Diacetoxy-2,3,3abeta,4,5,6,6aalpha,7,9aalpha,9bbeta-Decahydro-3,6,9-Trimethyl-2-Oxoazuleno[4,5-b]Furan-4beta-Yl] Ester
• Synonyms: [(3S,3Ar,4S,6S,6Ar,9As,9Bs)-3,6-Diacetoxy-3,6,9-Trimethyl-2-Oxo-4,5,6A,7,9A,9B-Hexahydro-3Ah-Azuleno[5,4-D]Furan-4-Yl] 2-Methylpropanoate; 2-Methylpropanoic Acid [(3S,3Ar,4S,6S,6Ar,9As,9Bs)-3,6-Diacetoxy-3,6,9-Trimethyl-2-Oxo-4,5,6A,7,9A,9B-Hexahydro-3Ah-Azuleno[5,4-D]Furan-4-Yl] Ester; 2-Methylpropionic Acid [(3S,3Ar,4S,6S,6Ar,9As,9Bs)-3,6-Diacetoxy-2-Keto-3,6,9-Trimethyl-4,5,6A,7,9A,9B-Hexahydro-3Ah-Azuleno[5,4-D]Furan-4-Yl] Ester
• Molecular Formula: C₂₃H₃₂O₈
• Molecular Weight: 436.50
• CAS Registry Number: 68799-88-2
• SMILES: [C@@H]13[C@H]([C@@](OC(=O)C)(C[C@H](OC(=O)C(C)C)[C@@H]2[C@H]1OC(=O)[C@]2(OC(=O)C)C)C)CC=C3C
• InChI: 1S/C23H32O8/c1-11(2)20(26)28-16-10-22(6,30-13(4)24)15-9-8-12(3)17(15)19-18(16)23(7,21(27)29-19)31-14(5)25/h8,11,15-19H,9-10H2,1-7H3/t15-,16+,17-,18-,19+,22+,23+/m1/s1
• InChIKey: YNZANXMCWKBMJS-JMFNMADFSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 520.233°C at 760 mmHg (Cal.)
• Flash point: 222.643°C (Cal.)