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Benzoic acid, 3-[(2,4-dimethoxy-6-pentylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-pentyl-
SpectraBase Compound ID G0cwl2a1Ov5
InChI InChI=1S/C27H36O8/c1-6-8-10-12-17-14-19(32-3)16-20(33-4)22(17)27(31)35-25-21(34-5)15-18(13-11-9-7-2)23(24(25)28)26(29)30/h14-16,28H,6-13H2,1-5H3,(H,29,30)
InChIKey JYGJXTAKUJOOGM-UHFFFAOYSA-N
Mol Weight 488.6 g/mol
Molecular Formula C27H36O8
Exact Mass 488.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0PrOQBGi7H
Name Benzoic acid, 3-[(2,4-dimethoxy-6-pentylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-pentyl-
Alternate Name(s) 3-(2',4'-Dimethoxy-6'-pentylbenzoyloxy)-2-hydroxy-4-methoxy-6-pentylbenzoic acid 3-[(2,4-dimethoxy-6-pentylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-pentylbenzoic acid 4,4'-di-O-methylcryptochlorophaeic acid
CAS Registry Number 69563-45-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O8
InChI InChI=1S/C27H36O8/c1-6-8-10-12-17-14-19(32-3)16-20(33-4)22(17)27(31)35-25-21(34-5)15-18(13-11-9-7-2)23(24(25)28)26(29)30/h14-16,28H,6-13H2,1-5H3,(H,29,30)
InChIKey JYGJXTAKUJOOGM-UHFFFAOYSA-N
Molecular Weight 488.577 g/mol
SMILES Oc1c(C(=O)O)c(cc(c1OC(c1c(cc(cc1CCCCC)OC)OC)=O)OC)CCCCC
SPLASH splash10-000i-0190000000-28444e160fd4a3d01dce
Source of Spectrum B-31-2749-0
Wiley ID 1396881