1-O-Acetyl-6-O-isobutyrylbritannilactone
[CAS# 1613152-34-3]

Identification

• Name: 1-O-Acetyl-6-O-isobutyrylbritannilactone
• Synonyms: [(3aR,4S,7aR)-5-[(2S)-5-acetyloxypentan-2-yl]-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 2-methylpropanoate
• Molecular Formula: C₂₁H₃₀O₆
• Molecular Weight: 378.47
• CAS Registry Number: 1613152-34-3
• SMILES: CC1=C(C(C2C(C1)OC(=O)C2=C)OC(=O)C(C)C)C(C)CCCOC(=O)C
• InChI: 1S/C21H30O6/c1-11(2)20(23)27-19-17(12(3)8-7-9-25-15(6)22)13(4)10-16-18(19)14(5)21(24)26-16/h11-12,16,18-19H,5,7-10H2,1-4,6H3/t12-,16+,18+,19+/m0/s1
• InChIKey: XHBHYMSLBWDFRZ-ZLKDORHNSA-N