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methyl (1R,12R,14R,16S,22R)-14-hydroxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-10-carboxylate

Base Information
  • Chemical Name:methyl (1R,12R,14R,16S,22R)-14-hydroxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-10-carboxylate
  • CAS No.:38739-18-3
  • Molecular Formula:C21H24N2O4
  • Molecular Weight:368.42626
  • Hs Code.:
  • DSSTox Substance ID:DTXSID201109435
  • Nikkaji Number:J16.507G
  • Mol file:38739-18-3.mol
methyl (1R,12R,14R,16S,22R)-14-hydroxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-10-carboxylate

Synonyms:DTXSID201109435;38739-18-3;Aspidospermidine-3-carboxylic acid, 2,3-didehydro-6,21-epoxy-21-hydroxy-, methyl ester, (5alpha,6alpha,12R,19alpha,21R)-

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Chemical Property of methyl (1R,12R,14R,16S,22R)-14-hydroxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-10-carboxylate
Chemical Property:
  • PSA:71.03000 
  • LogP:1.82830 
  • XLogP3:1.8
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Rotatable Bond Count:2
  • Exact Mass:368.17360725
  • Heavy Atom Count:27
  • Complexity:723
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:COC(=O)C1=C2C3(CCN4C3C5(C1)CC(OC5CC4)O)C6=CC=CC=C6N2
  • Isomeric SMILES:COC(=O)C1=C2[C@]3(CCN4[C@H]3[C@@]5(C1)C[C@@H](O[C@H]5CC4)O)C6=CC=CC=C6N2
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