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5-o-Benzyl 2-o-methyl 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-1H-indole-2,5-dicarboxylate
SpectraBase Compound ID L2zp1N4A58g
InChI InChI=1S/C40H41NO9/c1-28(42)47-19-12-20-48-37-23-35(39(43)50-26-31-17-10-5-11-18-31)33(34-22-36(40(44)45-2)41-38(34)37)21-32(49-25-30-15-8-4-9-16-30)27-46-24-29-13-6-3-7-14-29/h3-11,13-18,22-23,32,41H,12,19-21,24-27H2,1-2H3/t32-/m0/s1
InChIKey PHFZCGSGRMROQR-YTTGMZPUSA-N
Mol Weight 679.8 g/mol
Molecular Formula C40H41NO9
Exact Mass 679.278132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DsqEEeTflbo
Name 5-O-benzyl 2-O-methyl 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-1H-indole-2,5-dicarboxylate
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Formula C40H41NO9
InChI InChI=1S/C40H41NO9/c1-28(42)47-19-12-20-48-37-23-35(39(43)50-26-31-17-10-5-11-18-31)33(34-22-36(40(44)45-2)41-38(34)37)21-32(49-25-30-15-8-4-9-16-30)27-46-24-29-13-6-3-7-14-29/h3-11,13-18,22-23,32,41H,12,19-21,24-27H2,1-2H3/t32-/m0/s1
InChIKey PHFZCGSGRMROQR-YTTGMZPUSA-N
Molecular Weight 679.766 g/mol
SMILES [nH]1c2c(cc(c(c2cc1C(=O)OC)C[C@@](COCc1ccccc1)(OCc1ccccc1)[H])C(=O)OCc1ccccc1)OCCCOC(=O)C
SPLASH splash10-0006-9200000000-fb7af674cb2539ff416b
Source of Spectrum E1-46-569-52
Synonyms 7-(3-acetoxypropoxy)-4-[(2S)-2,3-dibenzoxypropyl]-1H-indole-2,5-dicarboxylic acid O5-benzyl ester O2-methyl ester 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-1H-indole-2,5-dicarboxylic acid O2-methyl ester O5-(phenylmethyl) ester O2-methyl O5-(phenylmethyl) 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-1H-indole-2,5-dicarboxylate O5-benzyl O2-methyl 7-(3-acetoxypropoxy)-4-[(2S)-2,3-dibenzyloxypropyl]-1H-indole-2,5-dicarboxylate
Wiley ID 1554313