[(3aR,4S,6aR,8R,9S,9aS,9bS)-9-(Chloromethyl)-8,9-Dihydroxy-3,6-Dimethylidene-2-Oxo-3a,4,5,6a,7,8,9a,9b-Octahydroazuleno[4,5-b]Furan-4-Yl] (2S)-3-Chloro-2-Hydroxy-2-Methylpropanoate
[CAS# 37006-36-3]

Identification

• Name: [(3aR,4S,6aR,8R,9S,9aS,9bS)-9-(Chloromethyl)-8,9-Dihydroxy-3,6-Dimethylidene-2-Oxo-3a,4,5,6a,7,8,9a,9b-Octahydroazuleno[4,5-b]Furan-4-Yl] (2S)-3-Chloro-2-Hydroxy-2-Methylpropanoate
• Synonyms: [(3Ar,4S,6Ar,8R,9S,9As,9Bs)-9-(Chloromethyl)-8,9-Dihydroxy-3,6-Dimethylene-2-Oxo-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[4,5-B]Furan-4-Yl] (2S)-3-Chloro-2-Hydroxy-2-Methyl-Propanoate; (2S)-3-Chloro-2-Hydroxy-2-Methylpropanoic Acid [(3Ar,4S,6Ar,8R,9S,9As,9Bs)-9-(Chloromethyl)-8,9-Dihydroxy-3,6-Dimethylene-2-Oxo-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[4,5-B]Furan-4-Yl] Ester; (2S)-3-Chloro-2-Hydroxy-2-Methyl-Propionic Acid [(3Ar,4S,6Ar,8R,9S,9As,9Bs)-9-(Chloromethyl)-8,9-Dihydroxy-2-Keto-3,6-Dimethylene-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[5,4-D]Furan-4-Yl] Ester
• Molecular Formula: C₁₉H₂₄Cl₂O₇
• Molecular Weight: 435.30
• CAS Registry Number: 37006-36-3
• SMILES: [C@@H]12[C@@H](C[C@@H](O)[C@]1(O)CCl)C(C[C@H](OC(=O)[C@](O)(CCl)C)[C@@H]3[C@@H]2OC(=O)C3=C)=C
• InChI: 1S/C19H24Cl2O7/c1-8-4-11(27-17(24)18(3,25)6-20)13-9(2)16(23)28-15(13)14-10(8)5-12(22)19(14,26)7-21/h10-15,22,25-26H,1-2,4-7H2,3H3/t10-,11-,12+,13+,14-,15-,18+,19+/m0/s1
• InChIKey: NUVAJKJDTZTFLK-KPSOQAITSA-N

Properties

• Density: 1.449g/cm³ (Cal.)
• Boiling point: 624.789°C at 760 mmHg (Cal.)
• Flash point: 331.66°C (Cal.)