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Home > Encyclopedia > methyl (4R,5R,7S)-5-ethyl-2,10,14-trihydroxy-12,19-dioxo-6-oxapentacyclo[9.8.0.03,9.05,7.013,18]nonadeca-1,3(9),10,13(18),14,16-hexaene-4-carboxylate

methyl (4R,5R,7S)-5-ethyl-2,10,14-trihydroxy-12,19-dioxo-6-oxapentacyclo[9.8.0.03,9.05,7.013,18]nonadeca-1,3(9),10,13(18),14,16-hexaene-4-carboxylate

methyl (4R,5R,7S)-5-ethyl-2,10,14-trihydroxy-12,19-dioxo-6-oxapentacyclo[9.8.0.03,9.05,7.013,18]nonadeca-1,3(9),10,13(18),14,16-hexaene-4-carboxylate structure

methyl (4R,5R,7S)-5-ethyl-2,10,14-trihydroxy-12,19-dioxo-6-oxapentacyclo[9.8.0.03,9.05,7.013,18]nonadeca-1,3(9),10,13(18),14,16-hexaene-4-carboxylate 

structure
  • CAS No:

    75364-14-6

  • Formula:

    C22H18O8

  • Chemical Name:

    methyl (4R,5R,7S)-5-ethyl-2,10,14-trihydroxy-12,19-dioxo-6-oxapentacyclo[9.8.0.03,9.05,7.013,18]nonadeca-1,3(9),10,13(18),14,16-hexaene-4-carboxylate

  • Synonyms:

    75364-14-6;CHEMBL21872;DTXSID20996815;8,9-Dehydro-zeta-rhodomycinone 8,9-beta-epoxide;Methyl 1a-ethyl-3,8,10-trihydroxy-4,9-dioxo-1a,2,4,9,11,11a-hexahydrotetraceno[2,3-b]oxirene-2-carboxylate;Naphthaceno(2,3-b)oxirene-2-carboxylic acid, 1a-ethyl-1a,2,4,9,11,11a-hexahydro-3,8,10-trihydroxy-4,9-dioxo-, methyl ester, (1aR-(1aalpha,2beta,11aalpha))-

methyl (4R,5R,7S)-5-ethyl-2,10,14-trihydroxy-12,19-dioxo-6-oxapentacyclo[9.8.0.03,9.05,7.013,18]nonadeca-1,3(9),10,13(18),14,16-hexaene-4-carboxylate Basic Attributes

410.4 g/mol

410.10016753 g/mol

Characteristics

134 Ų

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:134
Heavy Atom Count:30
Complexity:781
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl (4R,5R,7S)-5-ethyl-2,10,14-trihydroxy-12,19-dioxo-6-oxapentacyclo[9.8.0.03,9.05,7.013,18]nonadeca-1,3(9),10,13(18),14,16-hexaene-4-carboxylate

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