Description
6′-O-galloylalbiflorin, a natural compound, can be isolated from Paeoniae Radix Alba.
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[[(1R,3R,4R,6S,9S)-9-(benzoyloxymethyl)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]nonan-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
InChI: InChI=1S/C30H32O15/c1-28-10-18(33)15-9-30(28,29(15,27(40)45-28)12-42-24(38)13-5-3-2-4-6-13)44-26-23(37)22(36)21(35)19(43-26)11-41-25(39)14-7-16(31)20(34)17(32)8-14/h2-8,15,18-19,21-23,26,31-37H,9-12H2,1H3/t15-,18+,19+,21+,22-,23+,26-,28-,29-,30-/m0/s1
InChIKey: NKYKOCKNAQIWRZ-QKYHNZPSSA-N
SMILES: C[C@]12C[C@H]([C@@H]3C[C@]1([C@@]3(C(=O)O2)COC(=O)C4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O
Synonyms: Galloylalbiflorin; 6-o-Galloylalbiflorin; 929042-36-4; UNII-PS2BCP6269; PS2BCP6269; 6′-O-Galloylalbiflorin; (1R,3R,4R,6S,9S)-9-((Benzoyloxy)methyl)-4-hydroxy-6-methyl-1-((6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl)oxy)-7-oxatricyclo(4.3.0.03,9)nonan-8-one; [(2R,3S,4S,5R,6S)-6-[[(1R,3R,4R,6S,9S)-9-(benzoyloxymethyl)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]nonan-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate; …
Botanical Source: