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Home > Encyclopedia > Methyl (3S,5E,6S,7S)-5-ethylidene-2,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-1H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate

Methyl (3S,5E,6S,7S)-5-ethylidene-2,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-1H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate

Methyl (3S,5E,6S,7S)-5-ethylidene-2,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-1H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate structure

Methyl (3S,5E,6S,7S)-5-ethylidene-2,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-1H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate 

structure
  • CAS No:

    10012-73-4

  • Formula:

    C21H26N2O3

  • Chemical Name:

    Methyl (3S,5E,6S,7S)-5-ethylidene-2,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-1H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate

  • Synonyms:

    1H-3,6-Ethanoazonino[5,4-b]indole-7-carboxylic acid,5-ethylidene-2,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-,methyl ester,(3S,5E,6S,7S)-;Stemmadenine;3,7-Secocuran-16-carboxylic acid,2,7,19,20-tetradehydro-17-hydroxy-,methyl ester,(19E)-;2H-3,6-Ethanoazonino[5,4-b]indole-7-carboxylic acid,5-ethylidene-1,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-,methyl ester,(3S,5E,6S,7S)-;Methyl (3S,5E,6S,7S)-5-ethylidene-2,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-1H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate;2H-3,6-Ethanoazonino[5,4-b]indole-7-carboxylic acid,5-ethylidene-1,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-,methyl ester,[3S-(3R*,5E,6R*,7R*)]-;(+)-Stemmadenine;Stemmadenin

Methyl (3S,5E,6S,7S)-5-ethylidene-2,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-1H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate Basic Attributes

354.4 g/mol

354.44

Characteristics

65.6 Ų

199-200 °C (decomp)

Drug Information

stemmadenine

Computed Properties

Molecular Weight:354.4
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:354.19434270
Monoisotopic Mass:354.19434270
Topological Polar Surface Area:65.6
Heavy Atom Count:26
Complexity:578
Defined Atom Stereocenter Count:2
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of Methyl (3S,5E,6S,7S)-5-ethylidene-2,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-1H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate

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