(3β)-3-Chlorostigmast-5-Ene

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Properties Simple | Detailed

Formula C29H49Cl
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-3-chloro-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
Molecular Mass 433.152 g·mol−1
Heat of Formation -441.9 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 596.13 Å 3
Surface Area 448.43 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-3-chloro-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
  • (3s,8s,9s,10r,13r,14s,17r)-3-chloro-17-[(1r,4r)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
  • (3s,8s,9s,10r,13r,14s,17r)-3-chloro-17-[(2r,5r)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
  • (3s,8s,9s,10r,13r,14s,17r)-3-chloro-17-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
  • 3-chlorostigmast-5-ene
  • sitosteryl beta-chloride
CAS Number(s)
  • 33999-15-4
InChIKey IMWQDSKRNHVSQV-VJSFXXLFSA-N
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Elements H C Cl