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Ganbajunin A

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Ganbajunin A
SpectraBase Compound ID 2BiYg1ueiKs
InChI InChI=1S/C43H32O9/c1-49-42-38(31-17-21-33(22-18-31)50-35(44)25-28-11-5-2-6-12-28)41(48)43(52-37(46)27-30-15-9-4-10-16-30)39(40(42)47)32-19-23-34(24-20-32)51-36(45)26-29-13-7-3-8-14-29/h2-24H,25-27H2,1H3
InChIKey RTONZZNCUQSUBC-UHFFFAOYSA-N
Mol Weight 692.7 g/mol
Molecular Formula C43H32O9
Exact Mass 692.204633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lhc2xfLedQ6
Name Tris[benzeneacetic Acid] 5'-Methoxy-3',6'-dioxo[1,1':4',1''-terphenyl]-2',4,4''-triyl Ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H32O9
InChI InChI=1S/C43H32O9/c1-49-42-38(31-17-21-33(22-18-31)50-35(44)25-28-11-5-2-6-12-28)41(48)43(52-37(46)27-30-15-9-4-10-16-30)39(40(42)47)32-19-23-34(24-20-32)51-36(45)26-29-13-7-3-8-14-29/h2-24H,25-27H2,1H3
InChIKey RTONZZNCUQSUBC-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1522-2675(20011114)84_11_3342
Molecular Weight 692.720 g/mol
SMILES c1(ccc(cc1)OC(Cc1ccccc1)=O)C1=C(C(C(=C(C1=O)OC)c1ccc(cc1)OC(Cc1ccccc1)=O)=O)OC(Cc1ccccc1)=O
SPLASH splash10-00ku-4759000000-d2e591c2ec43ad2b7003
Source of Spectrum H-84-3348-2
Synonyms Ganbajunin A 5'-methoxy-3',6'-dioxo-3',6'-dihydro-[1,1':4',1''-terphenyl]-2',4,4''-triyl tris(2-phenylacetate)
Wiley ID 1787534