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Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy]-6-(2-oxoheptyl)-, phenylmethyl ester

View entire compound with spectra: 2 MS (GC)

Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy]-6-(2-oxoheptyl)-, phenylmethyl ester
SpectraBase Compound ID 5xGLNBpQCkm
InChI InChI=1S/C36H42O9/c1-4-6-9-15-27(37)17-25-19-29(43-3)21-31(39)34(25)36(42)45-30-20-26(18-28(38)16-10-7-5-2)33(32(40)22-30)35(41)44-23-24-13-11-8-12-14-24/h8,11-14,19-22,39-40H,4-7,9-10,15-18,23H2,1-3H3
InChIKey KWYPDSIUQKBCJP-UHFFFAOYSA-N
Mol Weight 618.7 g/mol
Molecular Formula C36H42O9
Exact Mass 618.282883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpLCENXsS4
Name Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy]-6-(2-oxoheptyl)-, phenylmethyl ester
CAS Registry Number 112642-51-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H42O9
InChI InChI=1S/C36H42O9/c1-4-6-9-15-27(37)17-25-19-29(43-3)21-31(39)34(25)36(42)45-30-20-26(18-28(38)16-10-7-5-2)33(32(40)22-30)35(41)44-23-24-13-11-8-12-14-24/h8,11-14,19-22,39-40H,4-7,9-10,15-18,23H2,1-3H3
InChIKey KWYPDSIUQKBCJP-UHFFFAOYSA-N
Molecular Weight 618.723 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CC(=O)CCCCC)OC)O)=O)cc(c1C(OCc1ccccc1)=O)CC(=O)CCCCC
SPLASH splash10-0a4i-0900000000-b50710e095485f3d07f0
Source of Spectrum JA-50-479-0
Synonyms benzyl 2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)benzoyloxy]-6-(2-oxoheptyl)benzoate 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoic acid[3-hydroxy-5-(2-oxoheptyl)-4-phenylmethoxycarbonylphenyl]ester 2-hydroxy-6-(2-ketoheptyl)-4-methoxy-benzoic acid[4-carbobenzoxy-3-hydroxy-5-(2-ketoheptyl)phenyl]ester 4-[(benzyloxy)carbonyl]-3-hydroxy-5-(2-oxoheptyl)phenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate Benzyl 2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)benzoyloxy]-6-(2-oxoheptyl)benzoate Benzyl 2-hydroxy-4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyloxy]-6-(2-oxoheptyl)benzoate (benzyl microphyllinate) Benzyl microphyllinate [3-hydroxy-5-(2-oxoheptyl)-4-phenylmethoxycarbonylphenyl]2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate [3-oxidanyl-5-(2-oxidanylideneheptyl)-4-phenylmethoxycarbonyl-phenyl]4-methoxy-2-oxidanyl-6-(2-oxidanylideneheptyl)benzoate 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoic acid [3-hydroxy-5-(2-oxoheptyl)-4-phenylmethoxycarbonylphenyl] ester [3-hydroxy-5-(2-oxoheptyl)-4-phenylmethoxycarbonylphenyl] 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate [4-benzyloxycarbonyl-3-hydroxy-5-(2-oxoheptyl)phenyl] 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate [3-oxidanyl-5-(2-oxidanylideneheptyl)-4-phenylmethoxycarbonyl-phenyl] 4-methoxy-2-oxidanyl-6-(2-oxidanylideneheptyl)benzoate
Wiley ID 1411430