Psoralenoside

Catalog	BBC905954178
CAS	905954-17-8
Synonyms	(2Z)-3-[6-(β-D-Glucopyranosyloxy)-1-benzofuran-5-yl]acrylic acid
IUPAC Name	(Z)-3-[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]prop-2-enoic acid
Molecular Weight	366.3
Molecular Formula	C17H18O9
Canonical SMILES	C1=COC2=CC(=C(C=C21)/C=C\C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI	InChI=1S/C17H18O9/c18-7-12-14(21)15(22)16(23)17(26-12)25-11-6-10-9(3-4-24-10)5-8(11)1-2-13(19)20/h1-6,12,14-18,21-23H,7H2,(H,19,20)/b2-1-/t12-,14-,15+,16-,17-/m1/s1
InChI Key	XRLPSAYLYDMYGX-UETKAVOHSA-N
Purity	98%
Appearance	Light-yellow powder