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7-(3-acetoxypropoxy)-4-[(2S)-3-benzoxy-2-hydroxy-propyl]-5-(carbomethoxyamino)-1H-indole-2-carboxylic acid methyl ester
SpectraBase Compound ID GRkJFCN12O4
InChI InChI=1S/C27H32N2O9/c1-17(30)37-10-7-11-38-24-14-22(29-27(33)35-3)20(21-13-23(26(32)34-2)28-25(21)24)12-19(31)16-36-15-18-8-5-4-6-9-18/h4-6,8-9,13-14,19,28,31H,7,10-12,15-16H2,1-3H3,(H,29,33)/t19-/m0/s1
InChIKey VZRAHTMHAJNJNN-IBGZPJMESA-N
Mol Weight 528.6 g/mol
Molecular Formula C27H32N2O9
Exact Mass 528.210781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wdrBIwuZv0
Name 7-(3-acetoxypropoxy)-4-[(2S)-3-benzoxy-2-hydroxy-propyl]-5-(carbomethoxyamino)-1H-indole-2-carboxylic acid methyl ester
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Formula C27H32N2O9
InChI InChI=1S/C27H32N2O9/c1-17(30)37-10-7-11-38-24-14-22(29-27(33)35-3)20(21-13-23(26(32)34-2)28-25(21)24)12-19(31)16-36-15-18-8-5-4-6-9-18/h4-6,8-9,13-14,19,28,31H,7,10-12,15-16H2,1-3H3,(H,29,33)/t19-/m0/s1
InChIKey VZRAHTMHAJNJNN-IBGZPJMESA-N
Molecular Weight 528.558 g/mol
SMILES [nH]1c(cc2c(C[C@](O)(COCc3ccccc3)[H])c(cc(c12)OCCCOC(=O)C)NC(=O)OC)C(=O)OC
SPLASH splash10-0udi-4900100000-9a89806b4cb641e212fd
Source of Spectrum E1-46-569-66
Synonyms 7-(3-acetyloxypropoxy)-4-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylic acid methyl ester Methyl 7-(3-acetoxypropoxy)-4-[(2S)-3-benzyloxy-2-hydroxy-propyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylate Methyl 7-(3-acetyloxypropoxy)-4-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylate Methyl 7-(3-acetyloxypropoxy)-5-(methoxycarbonylamino)-4-[(2S)-2-oxidanyl-3-phenylmethoxy-propyl]-1H-indole-2-carboxylate
Wiley ID 1554305