(4As,4Bs,10Bs,12As)-8-Methoxy-2,2,12A-Trimethyl-3,4,4A,4B,5,6,10B,11,12,12A-Decahydro-1(2H)-Chrysenone

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Formula C22H30O2
IUPAC Name (4as,4bs,10bs,12as)-8-methoxy-2,2,12a-trimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3h-chrysen-1-one
Molecular Mass 326.472 g·mol−1
Heat of Formation -427.5 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 417.07 Å 3
Surface Area 339.63 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,4bs,10bs,12as)-8-methoxy-2,2,12a-trimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3h-chrysen-1-one
  • 16,16-dimethyl-d-homo-8-isoestrone methyl ester
  • d-homoestra-1,3,5(10)-trien-17a-one, 3-methoxy-17,17-dimethyl-, (8alpha)-(+-)-
  • dmhiem
CAS Number(s)
  • 108789-49-7
InChIKey BRSVRATYZSQLNA-GHDARCQNSA-N
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