3β,5Alpha-Dihydroxycholestan-6-One

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Properties Simple | Detailed

Formula C27H46O3
IUPAC Name (3s,5r,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3,5-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-6-one
Molecular Mass 418.652 g·mol−1
Heat of Formation -910.6 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 561.23 Å 3
Surface Area 432.85 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3,5-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-6-one
  • (3s,5r,8s,9s,10r,13r,14s,17r)-3,5-dihydroxy-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]phenanthren-6-one
  • cholestan-6-one, 3,5-dihydroxy-, (3beta,5alpha)-
  • yakkasterone
  • ys 64
CAS Number(s)
  • 13027-33-3
InChIKey SJZZRXMQSAXCFD-ZCBMJONGSA-N
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