(2β,3β,5β,11Alpha,22R,24R)-2,3,11,14,20,22,24,25-Octahydroxycholest-7-En-6-One

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Formula C27H44O9
IUPAC Name (2s,3r,5r,9r,10r,11r,13r,14s,17s)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(1r,2r,4r)-1,2,4,5-tetrahydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
Molecular Mass 512.633 g·mol−1
Heat of Formation -1894.2 ± 16.7 kJ·mol−1
Dipole Moment 6.39 ± 1.08 D
Volume 616.7 Å 3
Surface Area 461.84 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
Synonyms
  • (22r,24r)-2beta,3beta,11alpha,14,20,22,24,25-octahydroxy-5beta-cholest-7-en-6-one
  • (24r)-11alpha,20,24-trihydroxyecdysone
  • (2s,3r,5r,9r,10r,11r,13r,14s,17s)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(1r,2r,4r)-1,2,4,5-tetrahydroxy-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,11r,13r,14s,17s)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(1r,2r,4r)-1,2,4,5-tetrahydroxy-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,11r,13r,14s,17s)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2r,3r,5r)-2,3,5,6-tetrahydroxy-6-methyl-heptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
InChIKey JZLJYAKQIWKLJN-GZOLVMJQSA-N
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