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Benzoic acid, 6-hydroxy-4-methoxy-3-[2-(methoxycarbonyl)-3-pentyl-5-(phenylmethoxy)phenoxy]-2-pentyl-, phenylmethyl ester
SpectraBase Compound ID 5DLnAagSOD
InChI InChI=1S/C40H46O8/c1-5-7-11-21-30-23-31(46-26-28-17-13-9-14-18-28)24-34(36(30)39(42)45-4)48-38-32(22-12-8-6-2)37(33(41)25-35(38)44-3)40(43)47-27-29-19-15-10-16-20-29/h9-10,13-20,23-25,41H,5-8,11-12,21-22,26-27H2,1-4H3
InChIKey OKSVOTYDLSWXMM-UHFFFAOYSA-N
Mol Weight 654.8 g/mol
Molecular Formula C40H46O8
Exact Mass 654.319268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5r1wEY4gDlk
Name Benzoic acid, 6-hydroxy-4-methoxy-3-[2-(methoxycarbonyl)-3-pentyl-5-(phenylmethoxy)phenoxy]-2-pentyl-, phenylmethyl ester
CAS Registry Number 124281-34-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H46O8
InChI InChI=1S/C40H46O8/c1-5-7-11-21-30-23-31(46-26-28-17-13-9-14-18-28)24-34(36(30)39(42)45-4)48-38-32(22-12-8-6-2)37(33(41)25-35(38)44-3)40(43)47-27-29-19-15-10-16-20-29/h9-10,13-20,23-25,41H,5-8,11-12,21-22,26-27H2,1-4H3
InChIKey OKSVOTYDLSWXMM-UHFFFAOYSA-N
Molecular Weight 654.800 g/mol
SMILES Oc1c(c(c(Oc2c(c(CCCCC)cc(c2)OCc2ccccc2)C(=O)OC)c(c1)OC)CCCCC)C(OCc1ccccc1)=O
SPLASH splash10-0006-9000034000-a0170539935ee3446704
Source of Spectrum B-42-993-19
Synonyms Benzyl 3-(5'-benzyloxy-2'-methoxycarbonyl-3'-pentylphenoxy)-6-hydroxy-4-methoxy-2-pentylbenzoate benzyl 3-[5-(benzyloxy)-2-(methoxycarbonyl)-3-pentylphenoxy]-6-hydroxy-4-methoxy-2-pentylbenzoate
Wiley ID 1413316