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(5S,7S)-3-benzyl-5-[(1S)-1-hydroxyethyl]-2,4,5,6,7,8-hexahydro-1H-azonin[5,4-b]indole-7-carboxylic acid methyl ester
SpectraBase Compound ID BZsYrPsdxpW
InChI InChI=1S/C25H30N2O3/c1-17(28)19-14-22(25(29)30-2)24-21(20-10-6-7-11-23(20)26-24)12-13-27(16-19)15-18-8-4-3-5-9-18/h3-11,17,19,22,26,28H,12-16H2,1-2H3/t17-,19-,22-/m0/s1
InChIKey KIUGLEHARZNZED-JLMWRMLUSA-N
Mol Weight 406.53 g/mol
Molecular Formula C25H30N2O3
Exact Mass 406.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGDv3adOoHr
Name (5S,7S)-3-benzyl-5-[(1S)-1-hydroxyethyl]-2,4,5,6,7,8-hexahydro-1H-azonin[5,4-b]indole-7-carboxylic acid methyl ester
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Formula C25H30N2O3
InChI InChI=1S/C25H30N2O3/c1-17(28)19-14-22(25(29)30-2)24-21(20-10-6-7-11-23(20)26-24)12-13-27(16-19)15-18-8-4-3-5-9-18/h3-11,17,19,22,26,28H,12-16H2,1-2H3/t17-,19-,22-/m0/s1
InChIKey KIUGLEHARZNZED-JLMWRMLUSA-N
Molecular Weight 406.526 g/mol
SMILES [nH]1c2ccccc2c2c1[C@](C[C@]([C@@](O)(C)[H])(CN(CC2)Cc1ccccc1)[H])(C(=O)OC)[H]
SPLASH splash10-001l-9310000000-7ee4bbc1d145ba0a4ff6
Source of Spectrum J-59-5980-16
Synonyms (5S,7S)-5-[(1S)-1-hydroxyethyl]-3-(phenylmethyl)-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylic acid methyl ester Methyl (5S,7S)-3-benzyl-5-[(1S)-1-hydroxyethyl]-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylate Methyl (5S,7S)-5-[(1S)-1-oxidanylethyl]-3-(phenylmethyl)-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylate
Wiley ID 1372336