(1R,4S,4As,8As)-3,4-Diformyl-4-Hydroxy-4A,8,8-Trimethyl-1,4,4A,5,6,7,8,8A-Octahydro-1-Naphthalenyl Acetate

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Formula C17H24O5
IUPAC Name [(1r,4s,4as,8as)-3,4-diformyl-4-hydroxy-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1h-naphthalen-1-yl] acetate
Molecular Mass 308.369 g·mol−1
Heat of Formation -891.0 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 373.01 Å 3
Surface Area 293.78 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,4s,4as,8as)-3,4-diformyl-4-hydroxy-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1h-naphthalen-1-yl] acetate
  • [(1r,4s,4as,8as)-4-hydroxy-3,4-dimethanoyl-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1h-naphthalen-1-yl] ethanoate
  • acetic acid [(1r,4s,4as,8as)-3,4-diformyl-4-hydroxy-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1h-naphthalen-1-yl] ester
  • cinnamodial
CAS Number(s)
  • 23599-45-3
InChIKey UKLMEFSRPRDOLD-YQFWSFKMSA-N
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