Colestolone

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Properties Simple | Detailed

Formula C27H44O2
IUPAC Name (3s,5s,9r,10s,13r,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
Molecular Mass 400.637 g·mol−1
Heat of Formation -684.4 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 544.77 Å 3
Surface Area 424.2 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,9r,10s,13r,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
  • (3s,5s,9r,10s,13r,17r)-3-hydroxy-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
  • colestolone (usan)
  • d03583
  • smp2_000324
InChIKey LINVVMHRTUSXHL-GGVPDPBRSA-N
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