(3R,4Ar,6As,10As,10Br)-3-Ethyl-5,10B-Dimethyl-3,4,4A,6A,7,8,9,10,10A,10B-Decahydro-1H-Benzo[H]Isochromen-1-One

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Formula C17H26O2
IUPAC Name (3r,4ar,6as,10as,10br)-3-ethyl-5,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydro-3h-benzo[h]isochromen-1-one
Molecular Mass 262.387 g·mol−1
Heat of Formation -466.4 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 338.67 Å 3
Surface Area 282.16 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4ar,6as,10as,10br)-3-ethyl-5,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydro-3h-benzo[h]isochromen-1-one
  • 1h-naphtho(1,2-c)pyran-1-one, 3-ethyl-3,4,4a,6a,7,8,9,10,10a,10b-decahydro-5,10b-dimethyl-, (3alpha,4abeta,6abta,10abeta,10balpha)-(+)-
  • pi 200
  • pi-200
CAS Number(s)
  • 143605-57-6
InChIKey DOVJKETUGTWKML-LVNYTYFRSA-N
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