Chem
J-GLOBAL ID：200907042922255673   Nikkaji number：J1.757.519H

PD116740

抗生物質PD-116740
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H16O7
Molecular formula furigana： C20-H16-O7
Molecular weight： 368.341
InChI： InChI=1S/C20H16O7/c1-27-12-4-2-3-9-14(12)19(25)16-15(17(9)23)13-10(18(24)20(16)26)5-8(7-21)6-11(13)22/h2-6,18,20-22,24,26H,7H2,1H3/t18-,20-/m0/s1
InChI key： ZJSLMQLVFYXGOW-ICSRJNTNSA-N
SMILES： COc1cccc2C(=O)C3=C([C@H](O)[C@@H](O)c4cc(CO)cc(O)c34)C(=O)c12
Systematic name  (4)：
  • (5S)-1,5α,6β-トリヒドロキシ-3-(ヒドロキシメチル)-8-メトキシ-5,6,7,12-テトラヒドロベンゾ[a]アントラセン-7,12-ジオン
  • (5S)-1,5α,6β-トリヒドロキシ-3-(ヒドロキシメチル)-8-メトキシ-5,6-ジヒドロベンゾ[a]アントラセン-7,12-ジオン
  • (5S,6S)-1,5,6-トリヒドロキシ-3-(ヒドロキシメチル)-8-メトキシ-5,6,7,12-テトラヒドロテトラフェン-7,12-ジオン
  • (5S,6S)-1,5,6-trihydroxy-3-(hydroxymethyl)-8-methoxy-5,6,7,12-tetrahydrotetraphene-7,12-dione
Other name (6)：
  • (5S)-1,5α,6β-Trihydroxy-3-(hydroxymethyl)-8-methoxy-5,6,7,12-tetrahydrobenzo[a]anthracene-7,12-dione
  • (5S)-1,5α,6β-Trihydroxy-3-(hydroxymethyl)-8-methoxy-5,6-dihydrobenzo[a]anthracene-7,12-dione
  • PD-116740
  • PD116740
  • 抗生物質PD-116740
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CAS registry number： 98015-54-4
KEGG COMPOUND： C12401
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