(5S,7R)-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	3ZapDjA2VFN
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-LQBOVUBWSA-N Google Search
Mol Weight	406.53 g/mol
Molecular Formula	C25H30N2O3
Exact Mass	406.225643 g/mol

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SpectraBase Spectrum ID	ALyoOOG9QIA
Name	(5S,7R)-3-benzyl-5-[(1S)-1-hydroxyethyl]-2,4,5,6,7,8-hexahydro-1H-azonin[5,4-b]indole-7-carboxylic acid methyl ester
Alternate Name(s)	(5S,7R)-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,7R)-3-benzyl-5-[(1S)-1-hydroxyethyl]-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylate Methyl (5S,7R)-5-[(1S)-1-oxidanylethyl]-3-(phenylmethyl)-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-LQBOVUBWSA-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	splash10-000x-9420100000-66989169700057abdaf3
Source of Spectrum	J-59-5980-15
Wiley ID	1372337