(3α,5α,6Beta)-6-Methoxy-3,5-Cyclocholestane

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Properties Simple | Detailed

Formula C28H48O
IUPAC Name (3alpha,5alpha,6beta)-6-methoxy-3,5-cyclocholestane
Molecular Mass 400.680 g·mol−1
Heat of Formation -436.0 ± 16.7 kJ·mol−1
Dipole Moment 1.02 ± 1.08 D
Volume 564.02 Å 3
Surface Area 429.77 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-cyclocholestane, 6-methoxy-, (3-beta,5-alpha,6-beta)- (9ci)
  • 3,5-cyclocholestane, 6-methoxy-, (3beta,5alpha,6beta)- (9ci)
  • 3-alpha,5-cyclo-5-alpha-cholestane, 6-beta-methoxy- (8ci)
  • 6-beta-methoxy-3-alpha,5-cyclo-5-alpha-cholestane
  • 6beta-methoxy-i-cholesterol
  • i-cholesterol methyl ether
InChIKey DSVYQBSADVVKNY-HHZNOXSWSA-N
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Elements H C O