Description
IUPAC Name: (1S,4aS,7R,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
InChI: InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
InChIKey: DSXFHNSGLYXPNG-PKUPRILXSA-N
Canonical SMILES: CC1CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O
Isomeric SMILES: C[C@@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Synonyms: 8-Epideoxyloganic acid; 88668-99-9; (1S,4aS,7R,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid; 7-Deoxy-8-epi-loganic acid; 8-Epideoxyloganicacid; C11649; 8-epi-Deoxyloganic acid; CHEBI:2314; …
Botanical Source: Cistanches herba