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Azonino[5,4-b]indole-7-carboxylic acid, 5-[3-(acetyloxy)propyl]-1,2,3,4,5,6,7,8-octahydro-3-(phenylmethyl)-, methyl ester, (5R*,7R*)-(.+-.)-
SpectraBase Compound ID ElEW7zg9RPV
InChI InChI=1S/C28H34N2O4/c1-20(31)34-16-8-11-22-17-25(28(32)33-2)27-24(23-12-6-7-13-26(23)29-27)14-15-30(19-22)18-21-9-4-3-5-10-21/h3-7,9-10,12-13,22,25,29H,8,11,14-19H2,1-2H3/t22-,25-/m1/s1
InChIKey ODNZQXZNLQQLAX-RCZVLFRGSA-N
Mol Weight 462.6 g/mol
Molecular Formula C28H34N2O4
Exact Mass 462.251858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Fvo5pzKaen
Name Azonino[5,4-b]indole-7-carboxylic acid, 5-[3-(acetyloxy)propyl]-1,2,3,4,5,6,7,8-octahydro-3-(phenylmethyl)-, methyl ester, (5R*,7R*)-(.+-.)-
Alternate Name(s) 16-Methoxycarbonyl-N-benzyl-20-(3-acetoxypropyl)-D-nordesethylcleavamine Methyl (5R,7R)-5-[3-(acetyloxy)propyl]-3-benzyl-1,2,3,4,5,6,7,8-octahydroazonino[5,4-b]indole-7-carboxylate
CAS Registry Number 110097-20-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H34N2O4
InChI InChI=1S/C28H34N2O4/c1-20(31)34-16-8-11-22-17-25(28(32)33-2)27-24(23-12-6-7-13-26(23)29-27)14-15-30(19-22)18-21-9-4-3-5-10-21/h3-7,9-10,12-13,22,25,29H,8,11,14-19H2,1-2H3/t22-,25-/m1/s1
InChIKey ODNZQXZNLQQLAX-RCZVLFRGSA-N
Molecular Weight 462.590 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@](C[C@](CN(CC2)Cc1ccccc1)(CCCOC(=O)C)[H])(C(=O)OC)[H]
SPLASH splash10-0006-9240200000-d0cb8ba4e3954af29aff
Source of Spectrum J-52-4337-24
Wiley ID 1391150