Description
IUPAC Name: (1R,2R,4S)-1-[(E,3R)-3-hydroxybut-1-enyl]-2,6,6-trimethylcyclohexane-1,2,4-triol
InChI: InChI=1S/C13H24O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,9-10,14-17H,7-8H2,1-4H3/b6-5+/t9-,10+,12-,13-/m1/s1
InChIKey: CTCKPFXFWVNGLG-HCSJXBKUSA-N
Canonical SMILES: CC(C=CC1(C(CC(CC1(C)O)O)(C)C)O)O
Isomeric SMILES: C[C@H](/C=C/[C@@]1([C@](C[C@H](CC1(C)C)O)(C)O)O)O
Synonyms: Megastigm-7-ene-3,5,6,9-tetraol; 680617-50-9; CHEMBL510464; (1R,2R,4S)-1-[(E,3R)-3-Hydroxybut-1-enyl]-2,6,6-trimethylcyclohexane-1,2,4-triol; HY-N3305; BDBM50275562; AKOS040760550; FS-9704; …
Botanical Source: Bupleuri Radix; Nelumbinis folium