Acetic Acid, ((Cholest-4-En-3-Ylideneamino)Oxy)-

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Formula C29H47NO3
IUPAC Name 2-[(z)-[(8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyacetic acid
Molecular Mass 457.688 g·mol−1
Heat of Formation -684.2 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 609.32 Å 3
Surface Area 497.85 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 3.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyacetic acid
  • 2-[[(8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyethanoic acid
  • 2-[[(8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyacetic acid
InChIKey JXSUYFPWFKJTNF-DMOJWQLFSA-N
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