17β-Hydroxy-17-Methyl-3-Oxospiro(Androst-5-Ene-4,1'-Cyclopropane)-2Alpha-Carbonitrile

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Formula C23H31NO2
IUPAC Name (2s,8r,9s,10r,13s,14s,17s)-17-hydroxy-10,13,17-trimethyl-3-oxo-spiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-4,1'-cyclopropane]-2-carbonitrile
Molecular Mass 353.498 g·mol−1
Heat of Formation -272.3 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 453.97 Å 3
Surface Area 353.75 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,8r,9s,10r,13s,14s,17s)-17-hydroxy-10,13,17-trimethyl-3-oxo-2-spiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-4,1'-cyclopropane]carbonitrile
  • (2s,8r,9s,10r,13s,14s,17s)-17-hydroxy-10,13,17-trimethyl-3-oxo-spiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-4,1'-cyclopropane]-2-carbonitrile
  • (2s,8r,9s,10r,13s,14s,17s)-17-hydroxy-10,13,17-trimethyl-3-oxospiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-4,1'-cyclopropane]-2-carbonitrile
  • (2s,8r,9s,10r,13s,14s,17s)-17-hydroxy-3-keto-10,13,17-trimethyl-spiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-4,1'-cyclopropane]-2-carbonitrile
  • 17-hydroxy-17-methyl-3-oxospiro(androst-5-ene-4,1'-cyclopropane)-2-carbonitrile
  • spiro(androst-5-ene-4,1'-cyclopropane)-2-carbonitrile, 17-hydroxy-17-methyl-3-oxo-, (2alpha,17beta)-
  • u 30870
  • u30870
CAS Number(s)
  • 50303-11-2
InChIKey DKJRYSHVLUXLSD-YSFZIFSESA-N
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