3-Chloro-2-Hydroxy-2-Methylpropionic Acid [Dodecahydro-8-Acetoxy-9-Hydroxy-9-(Hydroxymethyl)-3,6-Bis(Methylene)-2-Oxoazuleno[4,5-b]Furan-4-Yl] Ester
[CAS# 66761-10-2]

Identification

• Name: 3-Chloro-2-Hydroxy-2-Methylpropionic Acid [Dodecahydro-8-Acetoxy-9-Hydroxy-9-(Hydroxymethyl)-3,6-Bis(Methylene)-2-Oxoazuleno[4,5-b]Furan-4-Yl] Ester
• Synonyms: [8-Acetoxy-9-Hydroxy-9-(Hydroxymethyl)-3,6-Dimethylene-2-Oxo-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[4,5-B]Furan-4-Yl] 3-Chloro-2-Hydroxy-2-Methyl-Propanoate; 3-Chloro-2-Hydroxy-2-Methylpropanoic Acid [8-Acetoxy-9-Hydroxy-9-(Hydroxymethyl)-3,6-Dimethylene-2-Oxo-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[4,5-B]Furan-4-Yl] Ester; 3-Chloro-2-Hydroxy-2-Methyl-Propionic Acid (8-Acetoxy-9-Hydroxy-2-Keto-3,6-Dimethylene-9-Methylol-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[5,4-D]Furan-4-Yl) Ester
• Molecular Formula: C₂₁H₂₇ClO₉
• Molecular Weight: 458.89
• CAS Registry Number: 66761-10-2
• SMILES: C(O)C1(O)C2C(CC1OC(=O)C)C(CC(OC(=O)C(O)(CCl)C)C3C2OC(=O)C3=C)=C
• InChI: 1S/C21H27ClO9/c1-9-5-13(30-19(26)20(4,27)7-22)15-10(2)18(25)31-17(15)16-12(9)6-14(29-11(3)24)21(16,28)8-23/h12-17,23,27-28H,1-2,5-8H2,3-4H3
• InChIKey: BQZOLDKICRHJKZ-UHFFFAOYSA-N

Properties

• Density: 1.415g/cm³ (Cal.)
• Boiling point: 641.139°C at 760 mmHg (Cal.)
• Flash point: 341.549°C (Cal.)