(2β,3β,5β,22R,25S)-2,3,14,20,22-Pentahydroxy-26-Iodocholest-7-En-6-One

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Formula C27H43IO6
IUPAC Name (2s,3r,5r,9r,10r,13r,14s,17s)-17-[(2r,3r,6s)-2,3-dihydroxy-7-iodo-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
Molecular Mass 590.531 g·mol−1
Heat of Formation -1297.0 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 621.69 Å 3
Surface Area 474.22 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.82 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,5r,9r,10r,13r,14s,17s)-17-[(1r,2r,5s)-1,2-dihydroxy-6-iodo-1,5-dimethyl-hexyl]-2,3,14-trihydroxy-10,13-dimethyl-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)-17-[(1r,2r,5s)-1,2-dihydroxy-6-iodo-1,5-dimethylhexyl]-2,3,14-trihydroxy-10,13-dimethyl-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)-17-[(2r,3r,6s)-2,3-dihydroxy-7-iodo-6-methyl-heptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
InChIKey OFAWDAXRJPJULO-BMZRUTLMSA-N
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