(3β,5Alpha)-3-Hydroxycholest-7-Ene-14-Carbaldehyde

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Properties Simple | Detailed

Formula C28H46O2
IUPAC Name (3s,5s,9r,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-14-carbaldehyde
Molecular Mass 414.664 g·mol−1
Heat of Formation -624.8 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 566.61 Å 3
Surface Area 431.37 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,9r,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-14-carbaldehyde
  • (3s,5s,9r,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-14-carboxaldehyde
  • (3s,5s,9r,10s,13r,14s,17r)-3-hydroxy-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-14-carbaldehyde
InChIKey JLEPZAUPTZFVIM-AUUOWNIYSA-N
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