17-Hydroxycholest-4-En-3-One

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Formula C27H44O2
IUPAC Name (8r,9s,10r,13s,14s,17s)-17-[(1r)-1,5-dimethylhexyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 400.637 g·mol−1
Heat of Formation -662.4 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 541.37 Å 3
Surface Area 418.67 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17s)-17-[(1r)-1,5-dimethylhexyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17s)-17-hydroxy-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
CAS Number(s)
  • 157636-45-8
InChIKey JPZQAAAKHXFVKO-AHXUHXIQSA-N
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