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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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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CAS No:
10012-73-4
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Formula:
C21H26N2O3
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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
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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
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CAS No:
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
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
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