(1'R,5'S,9'S,10'S,13'R)-5'-Methyldispiro[1,3-Dioxolane-2,15'-[18]Oxapentacyclo[11.4.1.0~1,13~.0~2,10~.0~5,9~]Octadec[2]Ene-6',2''-[1,3]Dioxolane]

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Formula C22H30O5
IUPAC Name (1'r,5's,9's,10's,13'r)-5'-methyldispiro[1,3-dioxolane-2,15'-[18]oxapentacyclo[11.4.1.0 1,13 .0 2,10 .0 5,9 ]octadec[2]ene-6',2''-[1,3]dioxolane]
Molecular Mass 374.471 g·mol−1
Heat of Formation -810.7 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 445.98 Å 3
Surface Area 357.71 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (5alpha,10alpha)-5,10-epoxyestr-9(11)-ene-3,17-dione cyclic bis(1,2-ethanediyl acetal)
  • 3,3,17,17-bis(ethylenedioxy)-5,10-oxidoestr-9(11)-ene
  • bed-epoxyestrene
  • estr-9(11)-ene-3,17-dione, 5,10-epoxy-, cyclic bis(1,2-ethanediyl acetal), (5alpha,10alpha)-
CAS Number(s)
  • 55180-24-0
InChIKey ZFJGUFKEIAMGEH-XJEZRWEYSA-N
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