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Home > Encyclopedia > methyl (1S,15R,17S,18S)-17-ethyl-14-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

methyl (1S,15R,17S,18S)-17-ethyl-14-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

methyl (1S,15R,17S,18S)-17-ethyl-14-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate structure

methyl (1S,15R,17S,18S)-17-ethyl-14-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate 

structure
  • CAS No:

    80981-96-0

  • Formula:

    C22H28N2O4

  • Chemical Name:

    methyl (1S,15R,17S,18S)-17-ethyl-14-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

  • Synonyms:

    80981-96-0;3-Hydroxyvoacangine;Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)-;DTXSID401001671;Methyl 19-hydroxy-12-methoxyibogamine-18-carboxylate

methyl (1S,15R,17S,18S)-17-ethyl-14-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate Basic Attributes

384.5 g/mol

384.20490738 g/mol

Characteristics

74.8 Ų

Computed Properties

Molecular Weight:384.5
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:384.20490738
Monoisotopic Mass:384.20490738
Topological Polar Surface Area:74.8
Heavy Atom Count:28
Complexity:630
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl (1S,15R,17S,18S)-17-ethyl-14-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

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