(1R,3S,3Ar,5S,12R,12Ar)-1,3,12-Trihydroxy-5-Isopropyl-3,8,12-Trimethyl-2,3,3A,6,7,11,12,12A-Octahydrocyclopenta[11]Annulene-4,10(1H,5H)-Dione

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Properties Simple | Detailed

Formula C20H32O5
IUPAC Name (1r,3s,3ar,5s,8z,12r,12ar)-1,3,12-trihydroxy-5-isopropyl-3,8,12-trimethyl-1,2,3a,5,6,7,11,12a-octahydrocyclopenta[11]annulene-4,10-dione
Molecular Mass 352.465 g·mol−1
Heat of Formation -1124.7 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 446.66 Å 3
Surface Area 334.04 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 3.15 ± eV
Point Group Symmetry C1
Synonyms
  • (1r*,3s*,3ar*,5s*,8z,12r*,12ar*)-(-)-2,3,3a,6,7,11,12,12a-octahydro-1,3,12-trihydroxy-3,8,12-trimethyl-5-(1-methylethyl)-4,10(1h,5h)-cyclopentacycloundecenedione
  • (1r,2r,5z,9s,11r,12s,14r)-2,12,14-trihydroxy-2,6,12-trimethyl-9-propan-2-yl-bicyclo[9.3.0]tetradec-5-ene-4,10-dione
  • (1r,2r,5z,9s,11r,12s,14r)-2,12,14-trihydroxy-9-isopropyl-2,6,12-trimethyl-bicyclo[9.3.0]tetradec-5-ene-4,10-dione
  • (1r,2r,5z,9s,11r,12s,14r)-2,12,14-trihydroxy-9-isopropyl-2,6,12-trimethyl-bicyclo[9.3.0]tetradec-5-ene-4,10-quinone
  • (1r,2r,5z,9s,11r,12s,14r)-2,12,14-trihydroxy-9-isopropyl-2,6,12-trimethylbicyclo[9.3.0]tetradec-5-ene-4,10-dione
  • (1s*,3r*,4s*,6r*,7r*,8r*,11z)-4,6,8-trihydroxy-11-capnosene-2,10-dione
  • 4,10(1h,5h)-cyclopentacycloundecenedione, 2,3,3a,6,7,11,12,12a-octahydro-1,3,12-trihydroxy-3,8,12-trimethyl-5-(1-methylethyl)-, (1r*,3s*,3ar*,5s*,8z,12r*,12ar*)-(-)-
  • 4,6,8-trihydroxy-11-capnosene-2,10-dione
  • thcd
CAS Number(s)
  • 142750-40-1
InChIKey NVOWAVFZSKWQPR-DYKTZABPSA-N
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