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7-(2-Acetoxyethoxy)-4-[(S)-2-(benzyloxy)-3-hydroxypropyl]-2-(methoxycarbonyl)-1H-indole-5-carboxylic acid
SpectraBase Compound ID 4axDsfOWsjT
InChI InChI=1S/C25H27NO9/c1-15(28)33-8-9-34-22-12-20(24(29)30)18(19-11-21(25(31)32-2)26-23(19)22)10-17(13-27)35-14-16-6-4-3-5-7-16/h3-7,11-12,17,26-27H,8-10,13-14H2,1-2H3,(H,29,30)/t17-/m0/s1
InChIKey CSOAKZWDONPRKV-KRWDZBQOSA-N
Mol Weight 485.49 g/mol
Molecular Formula C25H27NO9
Exact Mass 485.168581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKaR5SHHCiq
Name 7-(2-Acetoxyethoxy)-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 C25H27NO9
InChI InChI=1S/C25H27NO9/c1-15(28)33-8-9-34-22-12-20(24(29)30)18(19-11-21(25(31)32-2)26-23(19)22)10-17(13-27)35-14-16-6-4-3-5-7-16/h3-7,11-12,17,26-27H,8-10,13-14H2,1-2H3,(H,29,30)/t17-/m0/s1
InChIKey CSOAKZWDONPRKV-KRWDZBQOSA-N
Molecular Weight 485.489 g/mol
SMILES OC(c1cc(c2c(c1C[C@@](CO)(OCc1ccccc1)[H])cc(C(=O)OC)[nH]2)OCCOC(=O)C)=O
SPLASH splash10-000i-9000000000-54b76ae649f4d411403d
Source of Spectrum E1-46-569-53
Synonyms 7-[2-(acetyloxy)ethoxy]-4-[(2S)-2-(benzyloxy)-3-hydroxypropyl]-2-(methoxycarbonyl)-1H-indole-5-carboxylic acid
Wiley ID 1554311