Pregn-5-Ene-3,20-Diamine, N3,N20,N20-Trimethyl-, (3α,20S)-

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Formula C24H42N2
IUPAC Name (3r,8s,9s,10r,13s,14s,17s)-17-[(1s)-1-(dimethylamino)ethyl]-n,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-amine
Molecular Mass 358.604 g·mol−1
Heat of Formation -173.6 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 497.97 Å 3
Surface Area 384.23 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 1.34 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,8s,9s,10r,13s,14s,17s)-17-[(1s)-1-dimethylaminoethyl]-n,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-amine
  • [(1s)-1-[(3r,8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-methylamino-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethyl]-dimethyl-amine
CAS Number(s)
  • 150036-82-1
InChIKey ZTDNKQJEIFATQN-QAKNPMBRSA-N
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