2,6-Methano-1H-azecino[5,4-b]indole-14-carboxylic acid, 5-ethyl-2,3,4,5,6,7,8,9-octahydro-3-methyl-8-oxo-, methyl ester, (2S,5S,6S,14S)-
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![2,6-Methano-1H-azecino[5,4-b]indole-14-carboxylic acid, 5-ethyl-2,3,4,5,6,7,8,9-octahydro-3-methyl-8-oxo-, methyl ester, (2S,5S,6S,14S)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bf228a76bc7645bcb3a638b971b395a7.png "2,6-Methano-1H-azecino[5,4-b]indole-14-carboxylic acid, 5-ethyl-2,3,4,5,6,7,8,9-octahydro-3-methyl-8-oxo-, methyl ester, (2S,5S,6S,14S)-")
2,6-Methano-1H-azecino[5,4-b]indole-14-carboxylic acid, 5-ethyl-2,3,4,5,6,7,8,9-octahydro-3-methyl-8-oxo-, methyl ester, (2S,5S,6S,14S)-
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CAS No:
2134-98-7
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Formula:
C21H26N2O3
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Chemical Name:
2,6-Methano-1H-azecino[5,4-b]indole-14-carboxylic acid, 5-ethyl-2,3,4,5,6,7,8,9-octahydro-3-methyl-8-oxo-, methyl ester, (2S,5S,6S,14S)-
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Synonyms:
2,6-Methano-1H-azecino[5,4-b]indole-14-carboxylic acid,5-ethyl-2,3,4,5,6,7,8,9-octahydro-3-methyl-8-oxo-,methyl ester,(2S,5S,6S,14S)-;Tabernemontanine;Vobasan-17-oic acid,19,20-dihydro-3-oxo-,methyl ester,(20β)-;20-Epidregamine;Tabernaemontanine;(-)-Tabernemontanine;Tabernaemontanin;(-)-Tabernaemontanine;NSC 108088;Tabernamontanine;28645-90-1
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CAS No:
2,6-Methano-1H-azecino[5,4-b]indole-14-carboxylic acid, 5-ethyl-2,3,4,5,6,7,8,9-octahydro-3-methyl-8-oxo-, methyl ester, (2S,5S,6S,14S)- Basic Attributes
354.44
354.44
218-367-2
Characteristics
62.4 Ų
1.176±0.06 g/cm3
217-219 °C @ Solvent: Methanol
515.9±50.0 °C(Predicted)
15.01±0.60
Computed Properties
Molecular Weight:354.4
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:354.19434270
Monoisotopic Mass:354.19434270
Topological Polar Surface Area:62.4
Heavy Atom Count:26
Complexity:566
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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