2'-O-Benzoylpaeoniflorin

Catalog	BBC1456598643
CAS	1456598-64-3
Synonyms	β-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl, 2-benzoate
IUPAC Name	[3-[3-benzoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate
Molecular Weight	584.57
Molecular Formula	C30H32O12
Canonical SMILES	CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)OC(=O)C7=CC=CC=C7)O
InChI	InChI=1S/C30H32O12/c1-27-14-29(36)19-12-30(27,28(19,26(41-27)42-29)15-37-23(34)16-8-4-2-5-9-16)40-25-22(21(33)20(32)18(13-31)38-25)39-24(35)17-10-6-3-7-11-17/h2-11,18-22,25-26,31-33,36H,12-15H2,1H3
InChI Key	LYPYOTHXDUDQAL-UHFFFAOYSA-N
Purity	98%
Appearance	Solid