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4-[(2S)-2,3-bis(phenylmethoxy)propyl]-7-(3-hydroxypropoxy)-1H-indole-2,5-dicarboxylic acid O2-methyl ester O5-(phenylmethyl) ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-[(2S)-2,3-bis(phenylmethoxy)propyl]-7-(3-hydroxypropoxy)-1H-indole-2,5-dicarboxylic acid O2-methyl ester O5-(phenylmethyl) ester
SpectraBase Compound ID FxqfnN2PQiM
InChI InChI=1S/C38H39NO8/c1-43-38(42)34-21-32-31(20-30(46-24-28-14-7-3-8-15-28)26-44-23-27-12-5-2-6-13-27)33(22-35(36(32)39-34)45-19-11-18-40)37(41)47-25-29-16-9-4-10-17-29/h2-10,12-17,21-22,30,39-40H,11,18-20,23-26H2,1H3/t30-/m0/s1
InChIKey KGUQMMYTRUSGEH-PMERELPUSA-N
Mol Weight 637.7 g/mol
Molecular Formula C38H39NO8
Exact Mass 637.267567 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 41OmDJL6AA2
Name 4-[(2S)-2,3-bis(Phenylmethoxy)propyl]-7-(3-hydroxypropoxy)-1H-indole-2,5-dicarboxylic acid O2-methyl ester O5-(phenylmethyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 637.267567212 u
Formula C38H39NO8
InChI InChI=1S/C38H39NO8/c1-43-38(42)34-21-32-31(20-30(46-24-28-14-7-3-8-15-28)26-44-23-27-12-5-2-6-13-27)33(22-35(36(32)39-34)45-19-11-18-40)37(41)47-25-29-16-9-4-10-17-29/h2-10,12-17,21-22,30,39-40H,11,18-20,23-26H2,1H3/t30-/m0/s1
InChIKey KGUQMMYTRUSGEH-PMERELPUSA-N
Molecular Weight 637.729 g/mol
SMILES C=1(NC=2C(=CC(=C(C2C1)C[C@@](COCC=1C=CC=CC1)(OCC=1C=CC=CC1)[H])C(=O)OCC=1C=CC=CC1)OCCCO)C(=O)OC