4'-Demethylepipodophyllotoxin

CAS	6559-91-7
Structure
Synonyms	4-Domethylpodophyllotoxin, 4'-demethyl-epi-podophyllotoxin
IUPAC Name	(5S,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Molecular Weight	400.38
Molecular Formula	C21H20O8
Canonical SMILES	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O
InChI	InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19+/m0/s1
InChI Key	YVCVYCSAAZQOJI-JHQYFNNDSA-N
Boiling Point	626.5±55.0 °C
Melting Point	246-248 °C
Purity	98%
Density	1.446±0.06 g/ml
pKa	9.94±0.40
Appearance	Powder