(1aR-(1aR*,35*,4Z,5aR*,8aR*,9R*,10aR*))-2-Methyl-Propanoic Acid 1a,2,3,5a,7,8,8a,9,10,10alpha-Decahydro-3-Hydroxy-4,10alpha-Dimethyl-8-Methylene-7-Oxooxireno(5,6)Cyclodeca(1,2-b)Furan-9-Yl Ester
[CAS# 59979-58-7]

Identification

• Name: (1aR-(1aR*,35*,4Z,5aR*,8aR*,9R*,10aR*))-2-Methyl-Propanoic Acid 1a,2,3,5a,7,8,8a,9,10,10alpha-Decahydro-3-Hydroxy-4,10alpha-Dimethyl-8-Methylene-7-Oxooxireno(5,6)Cyclodeca(1,2-b)Furan-9-Yl Ester
• Synonyms: Tagitinin; Tagitinins
• Molecular Formula: C₁₉H₂₆O₆
• Molecular Weight: 350.41
• CAS Registry Number: 59979-58-7
• SMILES: CC13OC1CC(O)C(=C/C2OC(=O)C(C2C(OC(=O)C(C)C)C3)=C)/C
• InChI: 1S/C19H26O6/c1-9(2)17(21)24-14-8-19(5)15(25-19)7-12(20)10(3)6-13-16(14)11(4)18(22)23-13/h6,9,12-16,20H,4,7-8H2,1-3,5H3/b10-6+
• InChIKey: QSOMGPFBPSJEFH-UXBLZVDNSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 518.603°C at 760 mmHg (Cal.)
• Flash point: 182.511°C (Cal.)