(3As,3Bs,9Bs,11As)-7-Methoxy-11A-Methyl-2,3,3A,3B,4,5,9B,10,11,11A-Decahydrophenanthro[2,1-B]Thiophene 1,1-Dioxide

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Properties Simple | Detailed

Formula C18H24O3S
IUPAC Name (3as,3bs,9bs,11as)-7-methoxy-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydro-2h-naphtho[2,1-e]benzothiophene 1,1-dioxide
Molecular Mass 320.446 g·mol−1
Heat of Formation -507.4 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 373.27 Å 3
Surface Area 310.9 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,3bs,9bs,11as)-7-methoxy-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydro-2h-naphtho[2,1-e]benzothiophene 1,1-dioxide
  • (3as,3bs,9bs,11as)-7-methoxy-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydro-2h-phenanthro[2,1-b]thiophene 1,1-dioxide
  • (8 alpha)-3-methoxy-17-thiaestra-1,3,5(10)-triene, 17,17-dioxide
  • 17-thia-3-methoxy-8 alpha,14beta-estra-1,3,5(10)-triene-17-dioxide
  • 17-tmet-17-d
CAS Number(s)
  • 55122-81-1
InChIKey BXOVBEOGVKRGLK-OWSLCNJRSA-N
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