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

SpectraBase Compound ID	L2zp1N4A58g
InChI	InChI=1S/C40H41NO9/c1-28(42)47-19-12-20-48-37-23-35(39(43)50-26-31-17-10-5-11-18-31)33(34-22-36(40(44)45-2)41-38(34)37)21-32(49-25-30-15-8-4-9-16-30)27-46-24-29-13-6-3-7-14-29/h3-11,13-18,22-23,32,41H,12,19-21,24-27H2,1-2H3/t32-/m0/s1
InChIKey	PHFZCGSGRMROQR-YTTGMZPUSA-N Google Search
Mol Weight	679.8 g/mol
Molecular Formula	C40H41NO9
Exact Mass	679.278132 g/mol

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SpectraBase Spectrum ID	BbI3iaqOARz
Name	5-o-Benzyl 2-o-methyl 7-(3-acetyloxypropoxy)-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	679.278131895 u
Formula	C40H41NO9
InChI	InChI=1S/C40H41NO9/c1-28(42)47-19-12-20-48-37-23-35(39(43)50-26-31-17-10-5-11-18-31)33(34-22-36(40(44)45-2)41-38(34)37)21-32(49-25-30-15-8-4-9-16-30)27-46-24-29-13-6-3-7-14-29/h3-11,13-18,22-23,32,41H,12,19-21,24-27H2,1-2H3/t32-/m0/s1
InChIKey	PHFZCGSGRMROQR-YTTGMZPUSA-N
Molecular Weight	679.766 g/mol
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)OCCCOC(=O)C)C(=O)OC