(3Ar,5Ar,9R,10Ar)-9-Hydroxy-8-(Hydroxymethyl)-1-Isopropyl-3A,5A-Dimethyl-3,3A,4,5,5A,9,10,10A-Octahydrocyclohepta[E]Inden-6(2H)-One

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Formula C20H30O3
IUPAC Name (3ar,5ar,9r,10ar)-9-hydroxy-8-(hydroxymethyl)-1-isopropyl-3a,5a-dimethyl-3,4,5,9,10,10a-hexahydro-2h-cyclohepta[e]inden-6-one
Molecular Mass 318.450 g·mol−1
Heat of Formation -624.3 ± 16.7 kJ·mol−1
Dipole Moment 1.47 ± 1.08 D
Volume 414.08 Å 3
Surface Area 319.56 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • cyathin a3
CAS Number(s)
  • 38598-35-5
InChIKey RGROGZCBGZBCAG-XNFNUYLZSA-N
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Elements H C O