Estra-1,3,5(10)-Triene-7-Undecanamide, N-Butyl-16-Chloro-3,17-Dihydroxy-N-Methyl-, (7α,16α,17Beta)-

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Formula C34H54ClNO3
IUPAC Name n-butyl-11-[(7r,8r,9s,13s,14s,16r,17r)-16-chloro-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]-n-methyl-undecanamide
Molecular Mass 560.250 g·mol−1
Heat of Formation -928.9 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 738.1 Å 3
Surface Area 623.51 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 3.16 ± eV
Point Group Symmetry C1
Synonyms
  • em 139
  • em 170
  • em-139
  • n-butyl-11-[(7r,8r,9s,13s,14s,16r,17r)-16-chloro-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]-n-methyl-undecanamide
  • n-butyl-11-[(7r,8r,9s,13s,14s,16r,17r)-16-chloro-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]-n-methylundecanamide
  • n-n-butyl-n-methyl-11-(16'alpha-chloro-3',17'beta-dihydroxyestra-1',3',5'(10')-trien-7'alpha-yl)undecanamide
CAS Number(s)
  • 131811-54-6
InChIKey FQJIZXBCOKNLMR-FTAPQOLWSA-N
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