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4-[(2S)-2,3-bis(phenylmethoxy)propyl]-7-(2-hydroxyethoxy)-1H-indole-2,5-dicarboxylic acid O2-methyl ester O5-(phenylmethyl) ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-[(2S)-2,3-bis(phenylmethoxy)propyl]-7-(2-hydroxyethoxy)-1H-indole-2,5-dicarboxylic acid O2-methyl ester O5-(phenylmethyl) ester
SpectraBase Compound ID P99b2D3hxh
InChI InChI=1S/C37H37NO8/c1-42-37(41)33-20-31-30(19-29(45-23-27-13-7-3-8-14-27)25-43-22-26-11-5-2-6-12-26)32(21-34(35(31)38-33)44-18-17-39)36(40)46-24-28-15-9-4-10-16-28/h2-16,20-21,29,38-39H,17-19,22-25H2,1H3/t29-/m0/s1
InChIKey FRVDKZRZCYAIBQ-LJAQVGFWSA-N
Mol Weight 623.7 g/mol
Molecular Formula C37H37NO8
Exact Mass 623.251917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DAgvXiUR6zP
Name 4-[(2S)-2,3-bis(Phenylmethoxy)propyl]-7-(2-hydroxyethoxy)-1H-indole-2,5-dicarboxylic acid O2-methyl ester O5-(phenylmethyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 623.251917147 u
Formula C37H37NO8
InChI InChI=1S/C37H37NO8/c1-42-37(41)33-20-31-30(19-29(45-23-27-13-7-3-8-14-27)25-43-22-26-11-5-2-6-12-26)32(21-34(35(31)38-33)44-18-17-39)36(40)46-24-28-15-9-4-10-16-28/h2-16,20-21,29,38-39H,17-19,22-25H2,1H3/t29-/m0/s1
InChIKey FRVDKZRZCYAIBQ-LJAQVGFWSA-N
Molecular Weight 623.702 g/mol
SMILES C1=2C(=C(C(OCC3=CC=CC=C3)=O)C=C(C2NC(=C1)C(=O)OC)OCCO)C[C@](OCC=1C=CC=CC1)(COCC1=CC=CC=C1)[H]