(1S,2S,5S,9S,10R,16R)-5-Methyl-18-Oxapentacyclo[14.3.1.0~1,13~.0~2,10~.0~5,9~]Icos-13-Ene-6,15-Dione

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Properties Simple | Detailed

Formula C20H26O3
IUPAC Name (1s,2s,5s,9s,10r,16r)-5-methyl-18-oxapentacyclo[14.3.1.0 1,13 .0 2,10 .0 5,9 ]icos-13-ene-6,15-dione
Molecular Mass 314.419 g·mol−1
Heat of Formation -551.0 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 384.88 Å 3
Surface Area 305.57 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (4alpha,10alpha)-4,19-cyclo-a-dihomo-2-oxaandrost-4b-ene-4a,17-dione
  • 2,19-(methyleneoxy)androst-4-ene-3,17-dione
  • 2,19-moaed
  • 4,19-cyclo-a-dihomo-2-oxaandrost-4b-ene-4a,17-dione, (4alpha,10alpha)-
CAS Number(s)
  • 136182-63-3
InChIKey KQTAMTBUQUXVAK-MFDYCWBWSA-N
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