17-Oxoestra-1,3,5(10)-Triene-3-Sulfonyl Chloride

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Properties Simple | Detailed

Formula C18H21ClO3S
IUPAC Name (8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3-sulfonyl chloride
Molecular Mass 352.876 g·mol−1
Heat of Formation -544.1 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 393.76 Å 3
Surface Area 330.36 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3-sulfonyl chloride
  • (8r,9s,13s,14s)-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3-sulfonyl chloride
InChIKey ASDYGQBNTJDQGH-CBZIJGRNSA-N
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Elements H S C O Cl