(2β,3β,5β,22R)-2,3,5,14,20,22,25-Heptahydroxycholest-7-En-6-One

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Properties Simple | Detailed

Formula C27H44O8
IUPAC Name (2s,3r,5s,9r,10r,13r,14s,17s)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(1r,2r)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
Molecular Mass 496.633 g·mol−1
Heat of Formation -1732.2 ± 16.7 kJ·mol−1
Dipole Moment 9.98 ± 1.08 D
Volume 603.54 Å 3
Surface Area 452.02 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 2.93 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,5s,9r,10r,13r,14s,17s)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(1r,2r)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
  • (2s,3r,5s,9r,10r,13r,14s,17s)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(1r,2r)-1,2,5-trihydroxy-1,5-dimethylhexyl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
  • (2s,3r,5s,9r,10r,13r,14s,17s)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2r,3r)-2,3,6-trihydroxy-6-methyl-heptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
  • (2s,3r,5s,9r,10r,13r,14s,17s)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2r,3r)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
  • polypodine b
CAS Number(s)
  • 18069-14-2
InChIKey GMFLGNRCCFYOKL-ACCCYTKYSA-N
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