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7-(3-acetoxypropoxy)-5-(carbomethoxyamino)-4-[(2S)-2,3-dihydroxypropyl]-1H-indole-2-carboxylic acid methyl ester
SpectraBase Compound ID 7FTRdcYW0wU
InChI InChI=1S/C20H26N2O9/c1-11(24)30-5-4-6-31-17-9-15(22-20(27)29-3)13(7-12(25)10-23)14-8-16(19(26)28-2)21-18(14)17/h8-9,12,21,23,25H,4-7,10H2,1-3H3,(H,22,27)/t12-/m0/s1
InChIKey YRQLJFKFYFAWFW-LBPRGKRZSA-N
Mol Weight 438.43 g/mol
Molecular Formula C20H26N2O9
Exact Mass 438.16383 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8v8zUw9cEM1
Name 7-(3-acetoxypropoxy)-5-(carbomethoxyamino)-4-[(2S)-2,3-dihydroxypropyl]-1H-indole-2-carboxylic acid methyl ester
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Formula C20H26N2O9
InChI InChI=1S/C20H26N2O9/c1-11(24)30-5-4-6-31-17-9-15(22-20(27)29-3)13(7-12(25)10-23)14-8-16(19(26)28-2)21-18(14)17/h8-9,12,21,23,25H,4-7,10H2,1-3H3,(H,22,27)/t12-/m0/s1
InChIKey YRQLJFKFYFAWFW-LBPRGKRZSA-N
Molecular Weight 438.433 g/mol
SMILES [nH]1c(cc2c(C[C@@](CO)(O)[H])c(cc(c12)OCCCOC(=O)C)NC(=O)OC)C(=O)OC
SPLASH splash10-0udi-3900000000-dd568220acf01e7ed7b1
Source of Spectrum E1-46-569-67
Synonyms 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-dihydroxypropyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylic acid methyl ester Methyl 7-(3-acetoxypropoxy)-4-[(2S)-2,3-dihydroxypropyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylate Methyl 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-bis(oxidanyl)propyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylate
Wiley ID 1554304