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7-(2-acetoxyethoxy)-2-carbomethoxy-4-[(2S)-2,3-dibenzoxypropyl]-1H-indole-5-carboxylic acid
SpectraBase Compound ID IaukxYme9Se
InChI InChI=1S/C32H33NO9/c1-21(34)40-13-14-41-29-17-27(31(35)36)25(26-16-28(32(37)38-2)33-30(26)29)15-24(42-19-23-11-7-4-8-12-23)20-39-18-22-9-5-3-6-10-22/h3-12,16-17,24,33H,13-15,18-20H2,1-2H3,(H,35,36)/t24-/m0/s1
InChIKey HMANRGOUZFMKPM-DEOSSOPVSA-N
Mol Weight 575.6 g/mol
Molecular Formula C32H33NO9
Exact Mass 575.215532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID UeqHI9F1By
Name 7-(2-acetoxyethoxy)-2-carbomethoxy-4-[(2S)-2,3-dibenzoxypropyl]-1H-indole-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H33NO9
InChI InChI=1S/C32H33NO9/c1-21(34)40-13-14-41-29-17-27(31(35)36)25(26-16-28(32(37)38-2)33-30(26)29)15-24(42-19-23-11-7-4-8-12-23)20-39-18-22-9-5-3-6-10-22/h3-12,16-17,24,33H,13-15,18-20H2,1-2H3,(H,35,36)/t24-/m0/s1
InChIKey HMANRGOUZFMKPM-DEOSSOPVSA-N
Molecular Weight 575.614 g/mol
SMILES [nH]1c2c(c(c(C(=O)O)cc2OCCOC(=O)C)C[C@@](COCc2ccccc2)(OCc2ccccc2)[H])cc1C(=O)OC
SPLASH splash10-000l-9000000000-df374509cd8c471afddf
Source of Spectrum E1-46-569-53
Synonyms 7-(2-acetoxyethoxy)-4-[(2S)-2,3-dibenzyloxypropyl]-2-methoxycarbonyl-1H-indole-5-carboxylic acid 7-(2-acetyloxyethoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-2-methoxycarbonyl-1H-indole-5-carboxylic acid
Wiley ID 1554312