Description
IUPAC Name: (2S)-7-(hydroxymethyl)-4-methoxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-5-one
InChI: InChI=1S/C22H28O11/c1-22(2,33-21-19(28)18(27)17(26)14(8-24)32-21)15-5-10-12(31-15)6-13-16(20(10)29-3)11(25)4-9(7-23)30-13/h4,6,14-15,17-19,21,23-24,26-28H,5,7-8H2,1-3H3/t14-,15+,17-,18+,19-,21+/m1/s1
InChIKey: XATAXBHNGRMKLI-OOBAEQHESA-N
Canonical SMILES: CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O
Isomeric SMILES: CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Synonyms: 1632110-81-6; Cimifugin 4′-O-beta-D-glucopyranoside; Cimifugin 4′-O-; A-D-glucopyranoside; (2S)-7-(hydroxymethyl)-4-methoxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-5-one; Cimifugin4′-O-beta-D-glucopyranoside; HY-N2287; AKOS037515082; …
Botanical Source: Cimicifugae rhizoma