Description
IUPAC Name: (3R)-2,6,6-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylic acid
InChI: InChI=1S/C16H26O8/c1-7-8(4-5-16(2,3)10(7)14(21)22)23-15-13(20)12(19)11(18)9(6-17)24-15/h8-9,11-13,15,17-20H,4-6H2,1-3H3,(H,21,22)/t8-,9-,11-,12+,13-,15-/m1/s1
InChIKey: ITYUWPGZACWPPQ-QLDIZCGWSA-N
Canonical SMILES: CC1=C(C(CCC1OC2C(C(C(C(O2)CO)O)O)O)(C)C)C(=O)O
Isomeric SMILES: CC1=C(C(CC[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C)C(=O)O
Synonyms: Rehmapicroside; 104056-82-8; (3R)-2,6,6-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylic acid; (3R)-2,6,6-trimethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-ene-1-carboxylic acid; SCHEMBL6364464; HY-N2398; AKOS030573573; FS-7111; …
Botanical Source: Rehmanniae Radix