(5As,8As,8Br)-2,5A-Dimethyl-5,5A,7,8,8A,8B,9,10-Octahydro-6H-Cyclopenta[5,6]Naphtho[2,1-B]Furan-6-One

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Formula C17H20O2
IUPAC Name (5as,8as,8br)-2,5a-dimethyl-7,8,8a,8b,9,10-hexahydro-5h-indeno[5,4-e]benzofuran-6-one
Molecular Mass 256.339 g·mol−1
Heat of Formation -252.5 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 313.05 Å 3
Surface Area 272.25 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 0.38 ± eV
Point Group Symmetry C1
Synonyms
  • 3-oxa-a-norsteroid
  • a-nor-3-oxaestra-1,5(10),9(11)-trien-17-one, 2-methyl-, (8alpha)-
CAS Number(s)
  • 131142-74-0
InChIKey JITQHIVLOIAYRM-JDFRZJQESA-N
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