3β-Methoxycholest-5-Ene

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Properties Simple | Detailed

Formula C28H48O
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
Molecular Mass 400.680 g·mol−1
Heat of Formation -500.6 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 564.4 Å 3
Surface Area 444.1 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 1.37 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3-methoxy-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-methoxy-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
  • 3.beta.-methoxycholest-5-ene
  • cholesterin methyl ether
  • cholesterol methyl ether
  • cholesteryl methyl ether
CAS Number(s)
  • 1174-92-1
InChIKey RCXPTZJNVLDKKV-PXBBAZSNSA-N
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