(Z)-2-Acetoxymethyl-2-Butenoic Acid [(1aR,1bS,2aS,3Z,4aR,7aR,8R,9aR)-1a,1b,2a,4a,6,7,7a,8,9,9alpha-Decahydro-3-Hydroxymethyl-9alpha-Methyl-7-Methylene-6-Oxobisoxireno[5,6:7,8]Cyclodeca[1,2-b]Furan-8-Yl] Ester
[CAS# 57498-88-1]

Identification

• Name: (Z)-2-Acetoxymethyl-2-Butenoic Acid [(1aR,1bS,2aS,3Z,4aR,7aR,8R,9aR)-1a,1b,2a,4a,6,7,7a,8,9,9alpha-Decahydro-3-Hydroxymethyl-9alpha-Methyl-7-Methylene-6-Oxobisoxireno[5,6:7,8]Cyclodeca[1,2-b]Furan-8-Yl] Ester
• Synonyms: Nsc354051
• Molecular Formula: C₂₂H₂₆O₉
• Molecular Weight: 434.44
• CAS Registry Number: 57498-88-1
• SMILES: [C@@H]13OC1(C[C@@H](OC(=O)C(/COC(=O)C)=C\C)[C@@H]2[C@H](OC(=O)C2=C)/C=C(/[C@@H]4O[C@H]34)CO)C
• InChI: 1S/C22H26O9/c1-5-12(9-27-11(3)24)21(26)29-15-7-22(4)19(31-22)18-17(30-18)13(8-23)6-14-16(15)10(2)20(25)28-14/h5-6,14-19,23H,2,7-9H2,1,3-4H3/b12-5-,13-6+/t14-,15-,16+,17+,18+,19+,22?/m1/s1
• InChIKey: XUMWIQSSHLAZBI-CSKSMPFCSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 625.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 216.3±25.0°C (Cal.)