(2β,3β,5β,22S)-2,3,14,20,22,25-Hexahydroxycholest-7-En-6-One

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Formula C27H44O7
IUPAC Name (2s,3r,5r,9r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1r,2s)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
Molecular Mass 480.634 g·mol−1
Heat of Formation -1552.1 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 597.99 Å 3
Surface Area 455.73 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 2.82 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,5r,9r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1r,2s)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
  • (2s,3r,5r,9r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1r,2s)-1,2,5-trihydroxy-1,5-dimethylhexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
  • (2s,3r,5r,9r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2r,3s)-2,3,6-trihydroxy-6-methyl-heptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
  • (2s,3r,5r,9r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2r,3s)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
InChIKey NKDFYOWSKOHCCO-ZPEWUMIJSA-N
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