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5''-pentylbenzene-1'',3''-diyl 1''-(4-benzyloxy-2-hydroxy-6-pentylbenzoate) 3''-(2'-hydroxy-4'-methoxy-6'-propylbenzoate)

View entire compound with spectra: 1 MS (GC)

5''-pentylbenzene-1'',3''-diyl 1''-(4-benzyloxy-2-hydroxy-6-pentylbenzoate) 3''-(2'-hydroxy-4'-methoxy-6'-propylbenzoate)
SpectraBase Compound ID FokghixZt0r
InChI InChI=1S/C41H48O8/c1-5-8-11-18-29-20-34(48-40(44)38-30(15-7-3)22-32(46-4)25-36(38)42)24-35(21-29)49-41(45)39-31(19-12-9-6-2)23-33(26-37(39)43)47-27-28-16-13-10-14-17-28/h10,13-14,16-17,20-26,42-43H,5-9,11-12,15,18-19,27H2,1-4H3
InChIKey NNUBJNLBHRYMJV-UHFFFAOYSA-N
Mol Weight 668.8 g/mol
Molecular Formula C41H48O8
Exact Mass 668.334918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78djX1uCyYL
Name 5''-pentylbenzene-1'',3''-diyl 1''-(4-benzyloxy-2-hydroxy-6-pentylbenzoate) 3''-(2'-hydroxy-4'-methoxy-6'-propylbenzoate)
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H48O8
InChI InChI=1S/C41H48O8/c1-5-8-11-18-29-20-34(48-40(44)38-30(15-7-3)22-32(46-4)25-36(38)42)24-35(21-29)49-41(45)39-31(19-12-9-6-2)23-33(26-37(39)43)47-27-28-16-13-10-14-17-28/h10,13-14,16-17,20-26,42-43H,5-9,11-12,15,18-19,27H2,1-4H3
InChIKey NNUBJNLBHRYMJV-UHFFFAOYSA-N
Molecular Weight 668.827 g/mol
SMILES Oc1c(C(Oc2cc(OC(c3c(cc(cc3CCC)OC)O)=O)cc(c2)CCCCC)=O)c(cc(c1)OCc1ccccc1)CCCCC
SPLASH splash10-0006-0900000000-d5c51b8dce2a4e1f7159
Source of Spectrum JA-50-1145-0
Synonyms 3-{[4-(benzyloxy)-2-hydroxy-6-pentylbenzoyl]oxy}-5-pentylphenyl 2-hydroxy-4-methoxy-6-propylbenzoate 5''-pentylbenzene-1'',3''-diyl 1''-(4-benzyloxy-2-hydroxy-6-pentylbenzoate) 3''-(2'-hydroxy-4'-methoxy-6'-propylbenzoate) 5''-Pentylbenzene-1'',3''-diyl 1''-(4-benzyloxy-2-hydroxy-6-pentylbenzoate) 3''-(2'-hydroxy-4'-methoxy-6'-propylbenzoate)
Wiley ID 1413867