(3β,8Alpha,9β,17β)-17-{(1R)-1-Hydroxy-1-[(2S,5R)-5-Methyl-2-Piperidinyl]Ethyl}Androst-5-En-3-Ol

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Formula C27H45NO2
IUPAC Name (3s,8r,9r,10r,13s,14s,17s)-17-[(1r)-1-hydroxy-1-[(2s,5r)-5-methyl-2-piperidyl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 415.652 g·mol−1
Heat of Formation -610.0 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 548.32 Å 3
Surface Area 423.7 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.29 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8r,9r,10r,13s,14s,17s)-17-[(1r)-1-hydroxy-1-[(2s,5r)-5-methyl-2-piperidinyl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8r,9r,10r,13s,14s,17s)-17-[(1r)-1-hydroxy-1-[(2s,5r)-5-methyl-2-piperidyl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8r,9r,10r,13s,14s,17s)-17-[(1r)-1-hydroxy-1-[(2s,5r)-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 16,28-secosolanid-5-ene-3,20-diol, (3beta,21xi,22xi,25xi)-
CAS Number(s)
  • 91421-75-9
InChIKey IYNBEJALSUEFDB-JYKDIFSSSA-N
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