(2β,3β,5β,11Alpha,22R)-2,3,5,11,14,20,22-Heptahydroxycholest-7-En-6-One

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Formula C27H44O8
IUPAC Name (2s,3r,5s,9r,10r,11r,13r,14s,17s)-17-[(1r,2r)-1,2-dihydroxy-1,5-dimethyl-hexyl]-2,3,5,11,14-pentahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
Molecular Mass 496.633 g·mol−1
Heat of Formation -1737.0 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 597.64 Å 3
Surface Area 448.19 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,5s,9r,10r,11r,13r,14s,17s)-17-[(1r,2r)-1,2-dihydroxy-1,5-dimethyl-hexyl]-2,3,5,11,14-pentahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
  • (2s,3r,5s,9r,10r,11r,13r,14s,17s)-17-[(1r,2r)-1,2-dihydroxy-1,5-dimethylhexyl]-2,3,5,11,14-pentahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
  • (2s,3r,5s,9r,10r,11r,13r,14s,17s)-17-[(2r,3r)-2,3-dihydroxy-6-methyl-heptan-2-yl]-2,3,5,11,14-pentahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
  • 2beta,3beta,5beta,11alpha,14alpha,20r,22r-heptahydro xycholest-7-en-6-one
  • cholest-7-en-6-one, 2,3,5,11,14,20,22-heptahydroxy-, (2beta,3beta,5beta,11alpha,22r)-
  • muristerone
  • muristerone a
CAS Number(s)
  • 37321-04-3
  • 38778-30-2
InChIKey LRJUYAVTHIEHAI-LHBNDURVSA-N
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