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5-O-benzyl 2-O-methyl 7-(2-acetyloxyethoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-1H-indole-2,5-dicarboxylate
SpectraBase Compound ID EBeQa45tiRr
InChI InChI=1S/C39H39NO9/c1-27(41)46-18-19-47-36-22-34(38(42)49-25-30-16-10-5-11-17-30)32(33-21-35(39(43)44-2)40-37(33)36)20-31(48-24-29-14-8-4-9-15-29)26-45-23-28-12-6-3-7-13-28/h3-17,21-22,31,40H,18-20,23-26H2,1-2H3/t31-/m0/s1
InChIKey HWRWPQXYCBOWBP-HKBQPEDESA-N
Mol Weight 665.7 g/mol
Molecular Formula C39H39NO9
Exact Mass 665.262482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EsYT4AvAF26
Name 5-O-benzyl 2-O-methyl 7-(2-acetyloxyethoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-1H-indole-2,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H39NO9
InChI InChI=1S/C39H39NO9/c1-27(41)46-18-19-47-36-22-34(38(42)49-25-30-16-10-5-11-17-30)32(33-21-35(39(43)44-2)40-37(33)36)20-31(48-24-29-14-8-4-9-15-29)26-45-23-28-12-6-3-7-13-28/h3-17,21-22,31,40H,18-20,23-26H2,1-2H3/t31-/m0/s1
InChIKey HWRWPQXYCBOWBP-HKBQPEDESA-N
Molecular Weight 665.739 g/mol
SMILES [nH]1c2c(cc(c(c2cc1C(=O)OC)C[C@@](COCc1ccccc1)(OCc1ccccc1)[H])C(=O)OCc1ccccc1)OCCOC(=O)C
SPLASH splash10-0006-9000000000-1748672396e1cd29759b
Source of Spectrum E1-46-568-52
Synonyms 7-(2-acetoxyethoxy)-4-[(2S)-2,3-dibenzoxypropyl]-1H-indole-2,5-dicarboxylic acid O5-benzyl ester O2-methyl ester 7-(2-acetyloxyethoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-1H-indole-2,5-dicarboxylic acid O2-methyl ester O5-(phenylmethyl) ester O2-methyl O5-(phenylmethyl) 7-(2-acetyloxyethoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-1H-indole-2,5-dicarboxylate O5-benzyl O2-methyl 7-(2-acetoxyethoxy)-4-[(2S)-2,3-dibenzyloxypropyl]-1H-indole-2,5-dicarboxylate
Wiley ID 1554314