(3β,18Alpha,19Alpha)-Urs-20-En-3-Yl Acetate

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Formula C32H52O2
IUPAC Name [(3s,4ar,6ar,6ar,6br,8as,12s,12ar,14ar,14br)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1h-picen-3-yl] acetate
Molecular Mass 468.754 g·mol−1
Heat of Formation 695.8 ± 16.7 kJ·mol−1
Dipole Moment 22.66 ± 1.08 D
Volume 615.45 Å 3
Surface Area 446.46 Å 2
HOMO Energy -4.71 ± 0.55 eV
LUMO Energy -3.71 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,4ar,6ar,6ar,6br,8as,12s,12ar,14ar,14br)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1h-picen-3-yl] acetate
  • [(3s,4ar,6ar,6ar,6br,8as,12s,12ar,14ar,14br)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1h-picen-3-yl] ethanoate
  • acetic acid [(3s,4ar,6ar,6ar,6br,8as,12s,12ar,14ar,14br)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1h-picen-3-yl] ester
InChIKey DYTVUYVLJDSMFA-ZHLOSDGBSA-N
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