(3β,5Alpha)-3-(Cyclohexylmethoxy)Cholestane

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Properties Simple | Detailed

Formula C34H60O
IUPAC Name (3s,5s,8r,9s,10s,13r,14s,17r)-3-[[(1r)-cyclohex-3-en-1-yl]methoxy]-10,13-dimethyl-17-[(1r)-1-methylhept-6-ynyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene
Molecular Mass 484.840 g·mol−1
Heat of Formation -685.4 ± 16.7 kJ·mol−1
Dipole Moment 1.30 ± 1.08 D
Volume 684.16 Å 3
Surface Area 543.66 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,8r,9s,10s,13r,14s,17r)-3-(cyclohexylmethoxy)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene
  • (3s,5s,8r,9s,10s,13r,14s,17r)-3-(cyclohexylmethoxy)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene
CAS Number(s)
  • 6242-21-3
InChIKey WCTTZDAXXREAIV-FBLHGACZSA-N
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