(2α,3Beta,5Beta,17α,22R)-2,3,9,14,20,22,25-Heptahydroxycholest-7-En-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C27H44O8
IUPAC Name (2r,3r,5r,9s,10s,13r,14s,17r)-2,3,9,14-tetrahydroxy-10,13-dimethyl-17-[(1r,2r)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-1,2,3,4,5,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
Molecular Mass 496.633 g·mol−1
Heat of Formation 2104.7 ± 16.7 kJ·mol−1
Dipole Moment 26.62 ± 1.08 D
Volume 474.08 Å 3
Surface Area 384.29 Å 2
HOMO Energy -7.82 ± 0.55 eV
LUMO Energy -4.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2beta,3beta,5beta,17xi,22r)-2,3,9,14,20,22,25-heptahydroxycholest-7-en-6-one
  • (2r,3r,5r,9s,10s,13r,14s,17r)-2,3,9,14-tetrahydroxy-10,13-dimethyl-17-[(1r,2r)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-1,2,3,4,5,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
  • (2r,3r,5r,9s,10s,13r,14s,17r)-2,3,9,14-tetrahydroxy-10,13-dimethyl-17-[(1r,2r)-1,2,5-trihydroxy-1,5-dimethylhexyl]-1,2,3,4,5,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
  • (2r,3r,5r,9s,10s,13r,14s,17r)-2,3,9,14-tetrahydroxy-10,13-dimethyl-17-[(2r,3r)-2,3,6-trihydroxy-6-methyl-heptan-2-yl]-1,2,3,4,5,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
  • 2,3,9,14-tetrahydroxy-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
  • 9alpha,20-dihydroxyecdysone
  • cholest-7-en-6-one, 2,3,9,14,20,22,25-heptahydroxy-, (2beta,3beta,5beta,17xi,22r)-
InChIKey AHHRNGCAWAPZKG-UOKVPDOSSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C O