(3β)-6-Nitrocholest-5-En-3-Ol

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Properties Simple | Detailed

Formula C27H45NO3
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 431.651 g·mol−1
Heat of Formation -547.8 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 572.99 Å 3
Surface Area 456.29 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 6-nitrocholesterol
  • cholest-5-en-3-ol, 6-nitro-, (3beta)-
InChIKey PGRKJDDEUNIWAZ-OLSNINGUSA-N
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