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7-[3-(Acetoxypropyl)oxy]-4-[(S)-2-(benzyloxy)-3-hydroxypropyl]-2-(methoxycarbonyl)-1H-indole-5-carboxylic acid
SpectraBase Compound ID 3Uz0s7UbphF
InChI InChI=1S/C26H29NO9/c1-16(29)34-9-6-10-35-23-13-21(25(30)31)19(20-12-22(26(32)33-2)27-24(20)23)11-18(14-28)36-15-17-7-4-3-5-8-17/h3-5,7-8,12-13,18,27-28H,6,9-11,14-15H2,1-2H3,(H,30,31)/t18-/m1/s1
InChIKey HQIDQKFCTAQSIH-GOSISDBHSA-N
Mol Weight 499.52 g/mol
Molecular Formula C26H29NO9
Exact Mass 499.184232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVedoyLaF0c
Name 7-[3-(Acetoxypropyl)oxy]-4-[(S)-2-(benzyloxy)-3-hydroxypropyl]-2-(methoxycarbonyl)-1H-indole-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29NO9
InChI InChI=1S/C26H29NO9/c1-16(29)34-9-6-10-35-23-13-21(25(30)31)19(20-12-22(26(32)33-2)27-24(20)23)11-18(14-28)36-15-17-7-4-3-5-8-17/h3-5,7-8,12-13,18,27-28H,6,9-11,14-15H2,1-2H3,(H,30,31)/t18-/m1/s1
InChIKey HQIDQKFCTAQSIH-GOSISDBHSA-N
Molecular Weight 499.516 g/mol
SMILES [nH]1c(cc2c(C[C@](CO)(OCc3ccccc3)[H])c(cc(c12)OCCCOC(=O)C)C(=O)O)C(=O)OC
SPLASH splash10-0udl-7910000000-bf5626c85b8e259ccfad
Source of Spectrum E1-46-569-53
Synonyms 7-[3-(acetyloxy)propoxy]-4-[(2R)-2-(benzyloxy)-3-hydroxypropyl]-2-(methoxycarbonyl)-1H-indole-5-carboxylic acid
Wiley ID 1554309