5-o-Benzyl 2-o-methyl 7-(2-acetyloxyethoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-1H-indole-2,5-dicarboxylate

SpectraBase Compound ID	EBeQa45tiRr
InChI	InChI=1S/C39H39NO9/c1-27(41)46-18-19-47-36-22-34(38(42)49-25-30-16-10-5-11-17-30)32(33-21-35(39(43)44-2)40-37(33)36)20-31(48-24-29-14-8-4-9-15-29)26-45-23-28-12-6-3-7-13-28/h3-17,21-22,31,40H,18-20,23-26H2,1-2H3/t31-/m0/s1
InChIKey	HWRWPQXYCBOWBP-HKBQPEDESA-N Google Search
Mol Weight	665.7 g/mol
Molecular Formula	C39H39NO9
Exact Mass	665.262482 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	9k365KsW8GO
Name	5-o-Benzyl 2-o-methyl 7-(2-acetyloxyethoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-1H-indole-2,5-dicarboxylate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	665.262481831 u
Formula	C39H39NO9
InChI	InChI=1S/C39H39NO9/c1-27(41)46-18-19-47-36-22-34(38(42)49-25-30-16-10-5-11-17-30)32(33-21-35(39(43)44-2)40-37(33)36)20-31(48-24-29-14-8-4-9-15-29)26-45-23-28-12-6-3-7-13-28/h3-17,21-22,31,40H,18-20,23-26H2,1-2H3/t31-/m0/s1
InChIKey	HWRWPQXYCBOWBP-HKBQPEDESA-N
SMILES	C=1(NC=2C(=CC(=C(C2C1)C[C@@](COCC=1C=CC=CC1)(OCC=1C=CC=CC1)[H])C(=O)OCC=1C=CC=CC1)OCCOC(=O)C)C(=O)OC