Methyl (1R,2R)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-1-naphthacenecarboxylate
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Methyl (1R,2R)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-1-naphthacenecarboxylate
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CAS No:
116235-59-7
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Formula:
C22H18O8
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Chemical Name:
Methyl (1R,2R)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-1-naphthacenecarboxylate
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Synonyms:
1-Naphthacenecarboxylic acid,2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-,methyl ester,(1R,2R)-;1-Naphthacenecarboxylic acid,2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-,methyl ester,(1R-trans)-;Methyl (1R,2R)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-1-naphthacenecarboxylate;Aklaviketone
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CAS No:
Description
ChEBI: A carboxylic ester that is the methyl ester of (1R,2R)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid.
Aklaviketone is a carboxylic ester that is the methyl ester of (1R,2R)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid. It has a role as a bacterial metabolite. It is a polyphenol, a tertiary alcohol, a tetracenomycin, a carbopolycyclic compound, a member of tetracenequinones, a methyl ester and a member of p-quinones. It is a conjugate acid of an aklaviketone(1-).
Methyl (1R,2R)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-1-naphthacenecarboxylate Basic Attributes
410.378
410.37
DTXSID40151323
Computed Properties
Molecular Weight:410.4
XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:410.10016753
Monoisotopic Mass:410.10016753
Topological Polar Surface Area:138
Heavy Atom Count:30
Complexity:777
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Methyl (1R,2R)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-1-naphthacenecarboxylate
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