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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
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAFx1QYLGPt
Name 4-[(2S)-2,3-bis(phenylmethoxy)propyl]-7-(3-hydroxypropoxy)-1H-indole-2,5-dicarboxylic acid O2-methyl ester O5-(phenylmethyl) ester
Alternate Name(s) 4-[(2S)-2,3-dibenzoxypropyl]-7-(3-hydroxypropoxy)-1H-indole-2,5-dicarboxylic acid O5-benzyl ester O2-methyl ester 5-O-benzyl 2-O-methyl 4-[(2S)-2,3-bis(phenylmethoxy)propyl]-7-(3-hydroxypropoxy)-1H-indole-2,5-dicarboxylate O2-methyl O5-(phenylmethyl) 4-[(2S)-2,3-bis(phenylmethoxy)propyl]-7-(3-oxidanylpropoxy)-1H-indole-2,5-dicarboxylate O5-benzyl O2-methyl 4-[(2S)-2,3-dibenzyloxypropyl]-7-(3-hydroxypropoxy)-1H-indole-2,5-dicarboxylate
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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 [nH]1c2c(c(c(cc2OCCCO)C(=O)OCc2ccccc2)C[C@@](COCc2ccccc2)(OCc2ccccc2)[H])cc1C(=O)OC
SPLASH splash10-0006-9000000000-2fb32822143a180a31a9
Source of Spectrum E1-46-568-49
Wiley ID 1554315