(22R)-20,22-Dihydroxycholest-4-En-3-One

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Properties Simple | Detailed

Formula C27H44O3
IUPAC Name (8s,9s,10r,13s,14s,17s)-17-[(1r,2r)-1,2-dihydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 416.636 g·mol−1
Heat of Formation -840.1 ± 16.7 kJ·mol−1
Dipole Moment 5.66 ± 1.08 D
Volume 554.12 Å 3
Surface Area 431.01 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17s)-17-[(1r,2r)-1,2-dihydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-17-[(1r,2r)-1,2-dihydroxy-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-17-[(2r,3r)-2,3-dihydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-17-[(2r,3r)-2,3-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 20,22-dihydroxycholest-4-en-3-one
CAS Number(s)
  • 94415-61-9
InChIKey DCHUFDLUIZXFQS-ITWQDKSZSA-N
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