(2β,3β,5β,9β,11Alpha)-2,3,11,14,20,25-Hexahydroxycholest-7-En-6-One

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Formula C27H44O7
IUPAC Name (2s,3r,5r,9s,10r,11r,13r,14s,17s)-17-[(2s)-2,6-dihydroxy-6-methylheptan-2-yl]-2,3,11,14-tetrahydroxy-10,13-dimethyl-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 -1542.7 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 590.02 Å 3
Surface Area 452.07 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2beta,3beta,5beta,9xi,11alpha)-2,3,11,14,20,25-hexahydroxycholest-7-en-6-one
  • (2s,3r,5r,9s,10r,11r,13r,14s,17s)-17-[(1s)-1,5-dihydroxy-1,5-dimethyl-hexyl]-2,3,11,14-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
  • (2s,3r,5r,9s,10r,11r,13r,14s,17s)-17-[(1s)-1,5-dihydroxy-1,5-dimethylhexyl]-2,3,11,14-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
  • (2s,3r,5r,9s,10r,11r,13r,14s,17s)-17-[(2s)-2,6-dihydroxy-6-methyl-heptan-2-yl]-2,3,11,14-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
  • 17-(1,5-dihydroxy-1,5-dimethyl-hexyl)-2,3,11,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-6-one
  • cholest-7-en-6-one, 2,3,11,14,20,25-hexahydroxy-, (2beta,3beta,5beta,9xi,11alpha)-
  • scabrasterone
InChIKey ZETXKEIWBPSFMF-ALDMCHMCSA-N
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