Clemastanin A

Catalog	BBC172670472
CAS	172670-47-2
Structure
Synonyms	(2S,3R,4S,5S,6R)-2-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC Name	(2S,3R,4S,5S,6R)-2-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	508.5
Molecular Formula	C25H32O11
Canonical SMILES	COC1=C(C=CC(=C1)C2C(C3=CC(=CC(=C3O2)OC4C(C(C(C(O4)CO)O)O)O)CCCO)CO)O
InChI	InChI=1S/C25H32O11/c1-33-17-9-13(4-5-16(17)29)23-15(10-27)14-7-12(3-2-6-26)8-18(24(14)36-23)34-25-22(32)21(31)20(30)19(11-28)35-25/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23+,25+/m0/s1
InChI Key	WGTYXIDAEFJHPD-DJSGBOIRSA-N
Purity	98%
Density	1.458±0.06 g/ml
Appearance	Powder