Ponasterone A

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Formula C27H40O6
IUPAC Name (2s,3r,5r,9r,10r,13r,14s,17s)-17-[(1r,2r)-1,2-dihydroxy-1-methyl-hept-6-ynyl]-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 460.603 g·mol−1
Heat of Formation -1366.7 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 582.09 Å 3
Surface Area 447.79 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,5r,9r,10r,13r,14s,17s)-17-[(1r,2r)-1,2-dihydroxy-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)-1,2-dihydroxy-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)-2,3-dihydroxy-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
  • (2s,3r,5r,9r,10r,13r,14s,17s)-17-[(2r,3r)-2,3-dihydroxy-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
  • 2,3,14,20,22-pentahydroxycholest-7-en-6-one
  • 25-deoxycedysterone
  • 2beta,3beta,14,20,22-pentahydroxy-5beta-cholest-7-en-6-one
  • cholest-7-en-6-one, 2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,22r)-
  • p1a
  • ponasterone a, 25-deoxyecdysterone, 25-deoxy-20-hydroxyecdysone,
CAS Number(s)
  • 13408-56-5
InChIKey PJYYBCXMCWDUAZ-JJJZTNILSA-N
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