Iso-Steviol

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Formula C20H30O3
IUPAC Name (1r,4s,5r,9s,10r,13s)-5,9,13-trimethyl-14-oxo-tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular Mass 318.450 g·mol−1
Heat of Formation -759.2 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 397.03 Å 3
Surface Area 307.74 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (4-alpha,8-beta,13-beta)-13-methyl-16-oxo-17-norkauran-18-oic acid
  • 17-nor-8-beta,13-beta-kauran-18-oic acid, 13-methyl-16-oxo-
  • 17-norkauran-18-oic acid, 13-methyl-16-oxo-, (4-alpha,8-beta,13-beta)-
  • isosteviol
InChIKey KFVUFODCZDRVSS-XGBBNYNSSA-N
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Elements H C O