Description
IUPAC Name: (1R,4S,5R,9S,10R,13S)-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
InChI: InChI=1S/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1
InChIKey: KFVUFODCZDRVSS-XGBBNYNSSA-N
Canonical SMILES: CC12CCC3C4(CCCC(C4CCC3(C1)CC2=O)(C)C(=O)O)C
Isomeric SMILES: C[C@]12CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)CC2=O)(C)C(=O)O)C
Synonyms: Isosteviol; 27975-19-5; iso-steviol; (-)-Isosteviol; Ketoisostevic Acid; CCRIS 6121; NSC 231875; UNII-091QB7QO95; …
Botanical Source: Stevia rebaudiana (Bertoni) Hemsl.