Ecdysone

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Properties Simple | Detailed

Formula C27H44O6
IUPAC Name (5r,6s)-5-hydroxy-2-methyl-6-[(2s,3r,5r,9r,10r,13r,14s,17r)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]heptan-2-olate
Molecular Mass 464.635 g·mol−1
Heat of Formation -718.7 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 572.37 Å 3
Surface Area 434.84 Å 2
Point Group Symmetry C1
Synonyms
  • (22r)-2beta,3beta,14,22,25-pentahydroxy-5beta-cholest-7-en-6-one
  • (22r)-2beta,3beta,14alpha,22,25-pentahydroxy-5beta-cholest-7-en-6-one
  • (2beta,3beta,5beta,22r)-2,3,14,22,25-pentahydroxycholest-7-en-6-one
  • (2s,3r,5r,9r,10r,13r,14s,17r)-17-[(1s,2r)-2,5-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,17r)-17-[(1s,2r)-2,5-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,17r)-17-[(2s,3r)-3,6-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,17r)-17-[(2s,3r)-3,6-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
  • 2beta,3beta,14alpha,22(r),25-pentahydroxy-7-cholesten-6-one
  • 5-beta-cholest-7-en-6-one, 2-beta,3-beta,14,22,25-pentahydroxy-, (20s,22r)-
  • alpha-ecdysone
  • bcbcmap01_000123
  • cholest-7-en-6-one, 2,3,14,22,25-pentahydroxy-, (2-beta,3-beta,5-beta,22r)- (9ci)
  • smp1_000109
CAS Number(s)
  • 3604-87-3
InChIKey UPEZCKBFRMILAV-JMZLNJERSA-N
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