Veratramine

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Properties Simple | Detailed

Formula C27H39NO2
IUPAC Name (2s,3r,5s)-2-[(1s)-1-[(3s,6ar,11as,11br)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methyl-piperidin-3-ol
Molecular Mass 409.604 g·mol−1
Heat of Formation -449.6 ± 16.7 kJ·mol−1
Dipole Moment 2.38 ± 1.08 D
Volume 531.97 Å 3
Surface Area 426.25 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,5s)-2-[(1s)-1-[(3s,6ar,11as,11br)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[i]fluoren-9-yl]ethyl]-5-methyl-3-piperidinol
  • (2s,3r,5s)-2-[(1s)-1-[(3s,6ar,11as,11br)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[i]fluoren-9-yl]ethyl]-5-methyl-piperidin-3-ol
  • (2s,3r,5s)-2-[(1s)-1-[(3s,6ar,11as,11br)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[i]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol
  • (3beta,23beta)-14,15,16,17-tetradehydroveratraman-3,23-diol
  • (3beta,23r)-14,15,16,17-tetradehydroveratraman-3,23-diol
  • veratraman-3,23-diol, 14,15,16,17-tetradehydro-, (3-beta,23-beta)-
  • veratraman-3,23-diol, 14,15,16,17-tetradehydro-, (3beta,23beta)- (9ci)
CAS Number(s)
  • 60-70-8
InChIKey MALFODICFSIXPO-KFKQDBFTSA-N
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