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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
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0n9Ij4EGGY
Name 4-[(2S)-2,3-bis(phenylmethoxy)propyl]-7-(2-hydroxyethoxy)-1H-indole-2,5-dicarboxylic acid O2-methyl ester O5-(phenylmethyl) ester
Alternate Name(s) 4-[(2S)-2,3-dibenzoxypropyl]-7-(2-hydroxyethoxy)-1H-indole-2,5-dicarboxylic acid O5-benzyl ester O2-methyl ester 5-O-benzyl 2-O-methyl 4-[(2S)-2,3-bis(phenylmethoxy)propyl]-7-(2-hydroxyethoxy)-1H-indole-2,5-dicarboxylate O2-methyl O5-(phenylmethyl) 4-[(2S)-2,3-bis(phenylmethoxy)propyl]-7-(2-hydroxyethyloxy)-1H-indole-2,5-dicarboxylate O5-benzyl O2-methyl 4-[(2S)-2,3-dibenzyloxypropyl]-7-(2-hydroxyethoxy)-1H-indole-2,5-dicarboxylate
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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 [nH]1c(cc2c(c(cc(OCCO)c12)C(OCc1ccccc1)=O)C[C@](OCc1ccccc1)(COCc1ccccc1)[H])C(=O)OC
SPLASH splash10-0006-9000000000-9d829d62a64a83da64ef
Source of Spectrum E1-46-568-49
Wiley ID 1554318