Fargesone A

Catalog	BBC116424692
CAS	116424-69-2
Structure
Synonyms	[2R-(2alpha,3beta,3abeta,7alpha,7abeta)]-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,4-dimethoxy-3-methyl-7-(2-propenyl)-6(2H)-benzofuranone
IUPAC Name	(2S,3R,3aR,7S,7aS)-2-(1,3-benzodioxol-5-yl)-3a,4-dimethoxy-3-methyl-7-prop-2-enyl-2,3,7,7a-tetrahydro-1-benzofuran-6-one
Molecular Weight	372.4
Molecular Formula	C21H24O6
Canonical SMILES	CC1C(OC2C1(C(=CC(=O)C2CC=C)OC)OC)C3=CC4=C(C=C3)OCO4
InChI	InChI=1S/C21H24O6/c1-5-6-14-15(22)10-18(23-3)21(24-4)12(2)19(27-20(14)21)13-7-8-16-17(9-13)26-11-25-16/h5,7-10,12,14,19-20H,1,6,11H2,2-4H3/t12-,14-,19+,20+,21+/m1/s1
InChI Key	COELSLLVNMRXHB-KYIFXELVSA-N
Boiling Point	508.0±50.0 °C
Purity	98%
Density	1.25±0.1 g/ml
Appearance	Oil