12-Epi-Scalaradial

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Formula C27H40O4
IUPAC Name [(4as,4br,6r,6as,7r,10as,10br,12as)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate
Molecular Mass 428.604 g·mol−1
Heat of Formation -838.9 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 539.79 Å 3
Surface Area 402.5 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • [(4as,4br,6r,6as,7r,10as,10br,12as)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate
  • [(4as,4br,6r,6as,7r,10as,10br,12as)-7,8-dimethanoyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] ethanoate
InChIKey ADWFEADZGIHPDE-VYGQJASISA-N
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