(5Ar,6S,8As)-5A,9-Dimethyl-2-Phenyl-5,5A,6,7,8,8A-Hexahydro-4H-Cyclopenta[5,6]Naphtho[2,1-B]Furan-6-Ol

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Properties Simple | Detailed

Formula C23H24O2
IUPAC Name (5ar,6s,8as)-5a,9-dimethyl-2-phenyl-4,5,6,7,8,8a-hexahydroindeno[5,4-e]benzofuran-6-ol
Molecular Mass 332.435 g·mol−1
Heat of Formation -200.6 ± 16.7 kJ·mol−1
Dipole Moment 1.15 ± 1.08 D
Volume 405.75 Å 3
Surface Area 347.89 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 2-phenyl-7-methyl-3-oxa-a-nor-14beta-estra-1,5(10),6,8-tetraen-17alpha-ol
  • a-nor-3-oxaestra-1,5,7,9-tetraen-17-ol, 7-methyl-2-phenyl-, (13alpha,17beta)-(+-)-
CAS Number(s)
  • 70878-00-1
InChIKey LXVRPVROFUQYOW-AVCGJXAMSA-N
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