(3β,5β,22R)-3,14,22,25-Tetrahydroxycholest-7-En-6-One

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Formula C27H42O5
IUPAC Name (3s,5r,9r,10r,13r,14s,17r)-17-[(2s,3r)-3,6-dihydroxy-6-methylheptan-2-yl]-3,14-dihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
Molecular Mass 446.619 g·mol−1
Heat of Formation -1205.4 ± 16.7 kJ·mol−1
Dipole Moment 6.72 ± 1.08 D
Volume 573.9 Å 3
Surface Area 442.59 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 2.94 ± eV
Point Group Symmetry C1
Synonyms
  • (22r)-3beta,14,22,25-tetrahydroxy-5beta-cholest-7-en-6-one
  • (3s,5r,9r,10r,13r,14s,17r)-17-[(1s,2r)-2,5-dihydroxy-1,5-dimethyl-hexyl]-3,14-dihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
  • (3s,5r,9r,10r,13r,14s,17r)-17-[(1s,2r)-2,5-dihydroxy-1,5-dimethylhexyl]-3,14-dihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
  • (3s,5r,9r,10r,13r,14s,17r)-17-[(2s,3r)-3,6-dihydroxy-6-methyl-heptan-2-yl]-3,14-dihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
InChIKey CRAPXAGGASWTPU-VQOIUDCISA-N
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