4,4-Dimethyl-5α-Cholest-7-Ene-3Beta-Ol

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Properties Simple | Detailed

Formula C29H50O
IUPAC Name (3s,5r,9r,10r,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-4,4,10,13-tetramethyl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 414.707 g·mol−1
Heat of Formation -545.7 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 579.76 Å 3
Surface Area 443.02 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 1.47 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,9r,10r,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-4,4,10,13-tetramethyl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
  • (3s,5r,9r,10r,13r,14r,17r)-4,4,10,13-tetramethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
  • 4,4-dimethylcholest-7-ene-3-ol
  • cholest-7-en-3-ol, 4,4-dimethyl-, (3beta,5alpha)-
CAS Number(s)
  • 6384-28-7
InChIKey UVNXFLZMQCAWCP-RCTKLBHESA-N
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