Coprostanone

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Formula C27H46O
IUPAC Name (5s,8r,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 386.654 g·mol−1
Heat of Formation -562.8 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 538.33 Å 3
Surface Area 428.23 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
  • (5s,8r,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
  • 3-keto-5alpha-cholestane
  • 5alpha-cholestan-3-one
  • 5alpha-cholestan-3-one (8ci)
  • 5alpha-cholestane-3-one
  • 5alpha-cholestanone
  • cholestan-3-one, (5alpha)- (9ci)
CAS Number(s)
  • 566-88-1
InChIKey PESKGJQREUXSRR-UXIWKSIVSA-N
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