Cyanthiwigin B

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Formula C20H28O2
IUPAC Name (3ar,5ar,10ar,10bs)-1-isopropyl-3a,5a,8-trimethyl-5,6,9,10,10a,10b-hexahydrocyclohepta[e]indene-3,4-dione
Molecular Mass 300.435 g·mol−1
Heat of Formation -392.5 ± 16.7 kJ·mol−1
Dipole Moment 6.97 ± 1.08 D
Volume 398.08 Å 3
Surface Area 314.08 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • cyclohept(e)indene-3,4-dione, 3a,5,5a,6,9,10,10a,10b-octahydro-3a,5a,8-trimethyl-1-(1-methylethyl)-, (3ar,5ar,10ar,10bs)-
  • cyclohept[e]indene-3,4-dione, 3a,5,5a,6,9,10,10a,10b-octahydro-3a,5a,8-trimethyl-1-(1-methylethyl)-, (3ar,5ar,10ar,10bs)-
CAS Number(s)
  • 150998-99-5
InChIKey YMLNTLFXDUFSQM-XLNTUCKNSA-N
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