Iso-Teinemine

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Formula C27H45NO2
IUPAC Name (3s,8s,9s,10r,13s,14s,16r,17r)-10,13-dimethyl-17-[(1s)-1-[(2r,5s)-5-methyl-2-piperidyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
Molecular Mass 415.652 g·mol−1
Heat of Formation -613.0 ± 16.7 kJ·mol−1
Dipole Moment 0.89 ± 1.08 D
Volume 549.49 Å 3
Surface Area 424.42 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13s,14s,16r,17r)-10,13-dimethyl-17-[(1s)-1-[(2r,5s)-5-methyl-2-piperidinyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
  • (3s,8s,9s,10r,13s,14s,16r,17r)-10,13-dimethyl-17-[(1s)-1-[(2r,5s)-5-methyl-2-piperidyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
  • (3s,8s,9s,10r,13s,14s,16r,17r)-10,13-dimethyl-17-[(1s)-1-[(2r,5s)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
  • 16,28-secosolanid-5-ene-3,16-diol, (3-beta,16-alpha,22-alpha)-
  • deacetylmuldame
  • deacetylmuldamine
  • teinemine
CAS Number(s)
  • 36069-46-2
  • 38642-07-8
  • 65027-01-2
InChIKey IRRHFODGOMSPEE-FIRKVUNCSA-N
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