(3β,9β,22S)-3-(β-D-Glucopyranosyloxy)-26-Oxo-22,26-Epoxy-9,19-Cyclolanost-24-En-28-Oic Acid

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Formula C36H54O10
IUPAC Name (1s,3r,6s,7s,8r,11s,12s,15r,16r)-7,12,16-trimethyl-15-[(1s)-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
Molecular Mass 646.808 g·mol−1
Heat of Formation -1938.7 ± 16.7 kJ·mol−1
Dipole Moment 7.30 ± 1.08 D
Volume 780.7 Å 3
Surface Area 577.88 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (22s,24z)-3beta-(beta-d-glucopyranosyloxy)-26-oxo-22,26-epoxy-9beta,19-cyclolanost-24-en-28-oic acid
InChIKey CJHYXUPCGHKJOO-AYOTXDKCSA-N
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