1-O-Acetyl-6-O-Isobutyrylbritannilactone

CAS	1613152-34-3
Synonyms	Propanoic acid, 2-methyl-, (3aR,4S,7aR)-5-[(1S)-4-(acetyloxy)-1-methylbutyl]-2,3,3a,4,7,7a-hexahydro-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester
IUPAC Name	[(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 Weight	378.46
Molecular Formula	C21H30O6
Canonical SMILES	CC1=C([C@H]([C@H]2[C@@H](C1)OC(=O)C2=C)OC(=O)C(C)C)[C@@H](C)CCCOC(=O)C
InChI	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
InChI Key	XHBHYMSLBWDFRZ-ZLKDORHNSA-N
Boiling Point	503.1±50.0 °C
Purity	98%
Density	1.12±0.1 g/ml
Appearance	Solid