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1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-2-hydroxy-1-(3,4,5-trimethoxyphenyl)-, ethyl ester, cis-
SpectraBase Compound ID Kq3r1BjmC9B
InChI InChI=1S/C23H26N2O6/c1-5-31-23(26)17-12-15-14-8-6-7-9-16(14)24-20(15)21(25(17)27)13-10-18(28-2)22(30-4)19(11-13)29-3/h6-11,17,21,24,27H,5,12H2,1-4H3/t17-,21-/m0/s1
InChIKey YMAZUBBQHIFXPU-UWJYYQICSA-N
Mol Weight 426.47 g/mol
Molecular Formula C23H26N2O6
Exact Mass 426.179087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3xTPHEbad0
Name 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-2-hydroxy-1-(3,4,5-trimethoxyphenyl)-, ethyl ester, cis-
Alternate Name(s) cis-1-(3',4',5'-trimethoxy-phenyl)-2-hydroxy-3-ethoxycarbonyl-1,2,3,4-tetrahydro-.beta.-carboline Ethyl (1S,3S)-2-hydroxy-1-(3,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-.beta.-carboline-3-carboxylate
CAS Registry Number 129168-99-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O6
InChI InChI=1S/C23H26N2O6/c1-5-31-23(26)17-12-15-14-8-6-7-9-16(14)24-20(15)21(25(17)27)13-10-18(28-2)22(30-4)19(11-13)29-3/h6-11,17,21,24,27H,5,12H2,1-4H3/t17-,21-/m0/s1
InChIKey YMAZUBBQHIFXPU-UWJYYQICSA-N
Molecular Weight 426.469 g/mol
SMILES ON1[C@@](Cc2c([C@@]1(c1cc(OC)c(c(c1)OC)OC)[H])[nH]c1ccccc21)(C(=O)OCC)[H]
SPLASH splash10-0690-0095200000-0432a727d270d7d5aa79
Source of Spectrum F-46-842-6
Wiley ID 1379914