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5'-pentylbenzene-1',3'-diyl bis(2-hydroxy-4-methoxy-6-propylbenzoate)
SpectraBase Compound ID AhIQbTpIkF6
InChI InChI=1S/C33H40O8/c1-6-9-10-13-21-14-26(40-32(36)30-22(11-7-2)16-24(38-4)19-28(30)34)18-27(15-21)41-33(37)31-23(12-8-3)17-25(39-5)20-29(31)35/h14-20,34-35H,6-13H2,1-5H3
InChIKey CNQDGAGAVYGQJG-UHFFFAOYSA-N
Mol Weight 564.7 g/mol
Molecular Formula C33H40O8
Exact Mass 564.272318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kR8r37h9J2
Name 5'-pentylbenzene-1',3'-diyl bis(2-hydroxy-4-methoxy-6-propylbenzoate)
Alternate Name(s) 3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-5-pentylphenyl 2-hydroxy-4-methoxy-6-propylbenzoate Depsidellin A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H40O8
InChI InChI=1S/C33H40O8/c1-6-9-10-13-21-14-26(40-32(36)30-22(11-7-2)16-24(38-4)19-28(30)34)18-27(15-21)41-33(37)31-23(12-8-3)17-25(39-5)20-29(31)35/h14-20,34-35H,6-13H2,1-5H3
InChIKey CNQDGAGAVYGQJG-UHFFFAOYSA-N
Molecular Weight 564.675 g/mol
SMILES Oc1c(C(Oc2cc(OC(c3c(cc(cc3CCC)OC)O)=O)cc(c2)CCCCC)=O)c(cc(c1)OC)CCC
SPLASH splash10-0006-0900000000-847199a51a4a12a7415c
Source of Spectrum JA-50-1145-0
Wiley ID 1407159