(5Ar,6R)-5A-Methyl-5,5A,6,7,9,10-Hexahydro-4H-Cyclopenta[5,6]Naphtho[2,1-B]Thiophene-6-Ol

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Properties Simple | Detailed

Formula C16H18OS
IUPAC Name (5ar,6r)-5a-methyl-4,5,6,7,9,10-hexahydroindeno[5,4-e]benzothiophen-6-ol
Molecular Mass 258.379 g·mol−1
Heat of Formation -60.8 ± 16.7 kJ·mol−1
Dipole Moment 1.31 ± 1.08 D
Volume 311.32 Å 3
Surface Area 268.97 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-cyclopenta(5,6)naphtho(2,1-b)thiophene-6-ol, 5,5a,6,7,9,10-hexahydro-5a-methyl-, cis-(+-)-
  • a-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol
CAS Number(s)
  • 60273-14-5
InChIKey UZLZQQCWQBCWOW-HZPDHXFCSA-N
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