Isofutoquinol A

Catalog	BBC62499701
CAS	62499-70-1
Structure
Synonyms	Tricyclo[4.2.0.02,8]oct-3-en-5-one, 7-(1,3-benzodioxol-5-yl)-2,3-dimethoxy-8-methyl-6-(2-propen-1-yl)-, (1S,2S,6R,7R,8S)-
IUPAC Name	(2R,6S,7S,8R)-7-(1,3-benzodioxol-5-yl)-2,3-dimethoxy-8-methyl-6-prop-2-enyltricyclo[4.2.0.02,8]oct-3-en-5-one
Molecular Weight	354.4
Molecular Formula	C21H22O5
Canonical SMILES	CC12C(C3(C1C2(C(=CC3=O)OC)OC)CC=C)C4=CC5=C(C=C4)OCO5
InChI	InChI=1S/C21H22O5/c1-5-8-20-15(22)10-16(23-3)21(24-4)18(20)19(21,2)17(20)12-6-7-13-14(9-12)26-11-25-13/h5-7,9-10,17-18H,1,8,11H2,2-4H3/t17-,18?,19+,20-,21+/m0/s1
InChI Key	LYOBQEYDVDTMSQ-ZQEFZMAUSA-N
Boiling Point	475.0±45.0 °C
Purity	98%
Density	1.30±0.1 g/ml
Appearance	Oil