4-O-Demethylkadsurenin D

CAS	127179-70-8
Synonyms	(6-Endo,7-exo)-(±)-7-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6-methyl-5-(2-propenyl)bicyclo[3.2.1]oct-3-ene-2,8-dione
IUPAC Name	(1S,5S,6R,7R)-7-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione
Molecular Weight	342.4
Molecular Formula	C20H22O5
Canonical SMILES	CC1C(C2C(=O)C(=CC1(C2=O)CC=C)OC)C3=CC(=C(C=C3)O)OC
InChI	InChI=1S/C20H22O5/c1-5-8-20-10-15(25-4)18(22)17(19(20)23)16(11(20)2)12-6-7-13(21)14(9-12)24-3/h5-7,9-11,16-17,21H,1,8H2,2-4H3/t11-,16+,17-,20-/m1/s1
InChI Key	WDPDGHCWVZXPFP-GLRCHQFTSA-N
Boiling Point	519.5±50.0 °C
Purity	98%
Density	1.24±0.1 g/ml
pKa	7.92±0.70
Appearance	Powder