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7-(3-acetoxypropoxy)-2-carbomethoxy-4-[(2S)-2,3-dibenzoxypropyl]-1H-indole-5-carboxylic acid
SpectraBase Compound ID I5aCUI32rms
InChI InChI=1S/C33H35NO9/c1-22(35)41-14-9-15-42-30-18-28(32(36)37)26(27-17-29(33(38)39-2)34-31(27)30)16-25(43-20-24-12-7-4-8-13-24)21-40-19-23-10-5-3-6-11-23/h3-8,10-13,17-18,25,34H,9,14-16,19-21H2,1-2H3,(H,36,37)/t25-/m0/s1
InChIKey CIFGNELXSSPBRM-VWLOTQADSA-N
Mol Weight 589.6 g/mol
Molecular Formula C33H35NO9
Exact Mass 589.231182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpBtkrQO4qk
Name 7-(3-acetoxypropoxy)-2-carbomethoxy-4-[(2S)-2,3-dibenzoxypropyl]-1H-indole-5-carboxylic acid
Alternate Name(s) 7-(3-acetoxypropoxy)-4-[(2S)-2,3-dibenzyloxypropyl]-2-methoxycarbonyl-1H-indole-5-carboxylic acid 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-2-methoxycarbonyl-1H-indole-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H35NO9
InChI InChI=1S/C33H35NO9/c1-22(35)41-14-9-15-42-30-18-28(32(36)37)26(27-17-29(33(38)39-2)34-31(27)30)16-25(43-20-24-12-7-4-8-13-24)21-40-19-23-10-5-3-6-11-23/h3-8,10-13,17-18,25,34H,9,14-16,19-21H2,1-2H3,(H,36,37)/t25-/m0/s1
InChIKey CIFGNELXSSPBRM-VWLOTQADSA-N
Molecular Weight 589.641 g/mol
SMILES [nH]1c2c(c(c(C(=O)O)cc2OCCCOC(=O)C)C[C@@](COCc2ccccc2)(OCc2ccccc2)[H])cc1C(=O)OC
SPLASH splash10-0f6x-9701000000-fd92d450da671e37695e
Source of Spectrum E1-46-569-53
Wiley ID 1554310