Cholesta-5,7,9(11)-Trien-3.β.-Ol

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Properties Simple | Detailed

Formula C27H42O
IUPAC Name (3s,10s,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 382.622 g·mol−1
Heat of Formation -368.8 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 531.47 Å 3
Surface Area 416.69 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,10s,13r,14r,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,12,14,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,10s,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-3-ol
  • cholesta-5,7,9(11)-trien-3-ol, (3beta)-
  • cholesta-5,7,9-trien-3beta-ol
  • cholestatrienol
  • delta(5,7,9(11))-cholestatriene-3beta-ol
CAS Number(s)
  • 51982-45-7
InChIKey YQYYDLWKDGKMKI-BXAZICILSA-N
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Elements H C O