(3Bs,5As,6S,8As,8Bs)-5A-Methyl-4,5,5A,6,7,8,8A,8B,9,10-Decahydro-3Bh-Cyclopenta[5,6]Naphtho[2,1-B]Thiophene-6-Ol

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Formula C16H22OS
IUPAC Name (3bs,5as,6s,8as,8bs)-5a-methyl-3b,4,5,6,7,8,8a,8b,9,10-decahydroindeno[5,4-e]benzothiophen-6-ol
Molecular Mass 262.410 g·mol−1
Heat of Formation -203.2 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 323.82 Å 3
Surface Area 272.47 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • a-nor-3-thiaestra-1,5(10)-dien-17-ol, (17beta)-(+-)-
  • a-nor-3-thiaestra-1,5(10)-dien-17beta-ol
CAS Number(s)
  • 71995-93-2
InChIKey JWZLPBSNBPYKOV-AYCVOAMHSA-N
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