24-Norcholan-3-Ol, 23-(4,5-Dihydro-4,4-Dimethyl-2-Oxazolyl)-, (3α,5Beta)-

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Formula C28H47NO2
IUPAC Name (3r,5r,8r,9s,10s,13r,14s,17r)-17-[(1r)-3-(4,4-dimethyl-5h-oxazol-2-yl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 429.678 g·mol−1
Heat of Formation -660.7 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 578.78 Å 3
Surface Area 450.23 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 1.17 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r,8r,9s,10s,13r,14s,17r)-17-[(1r)-3-(4,4-dimethyl-5h-oxazol-2-yl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3r,5r,8r,9s,10s,13r,14s,17r)-17-[(1r)-3-(4,4-dimethyl-5h-oxazol-2-yl)-1-methylpropyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3r,5r,8r,9s,10s,13r,14s,17r)-17-[(2r)-4-(4,4-dimethyl-5h-1,3-oxazol-2-yl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • lithooxazoline
CAS Number(s)
  • 80724-92-1
InChIKey IWBRPFCTPVMWIJ-CUYCEIPOSA-N
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