Ecdysterone

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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,2r)-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 -1583.3 ± 16.7 kJ·mol−1
Dipole Moment 9.80 ± 1.08 D
Volume 588.89 Å 3
Surface Area 445.79 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (22r)-2beta,3beta,14alpha,20,22,25-hexahydroxy-5beta-cholest-7-en-6-one
  • (2beta,3beta,5beta)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one
  • (2s,3r,5r,9r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1r,2r)-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,2r)-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,3r)-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,3r)-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
  • 2,3,14-trihydroxy-10,13-dimethyl-17-(1,2,5-trihydroxy-1,5-dimethyl-hexyl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-6-one
  • 20-oh ecdysone
  • 20e
  • 2beta,3beta,14alpha,20beta,22,25-hexahydroxy-7-cholesten-6-one
  • beta-ecdysone
  • insect moulting hormone
CAS Number(s)
  • 5289-74-7
InChIKey NKDFYOWSKOHCCO-YPVLXUMRSA-N
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