Chem
J-GLOBAL ID：200907088796286282   Nikkaji number：J128.616A

Fredericamycin A

フレデリカマイシンA
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： C30H21NO9
Molecular formula furigana： C30-H21-N-O9
Molecular weight： 539.496
InChI： InChI=1S/C30H21NO9/c1-3-4-5-6-14-10-13-9-12-7-8-30(22(12)26(36)17(13)29(39)31-14)27(37)20-21(28(30)38)25(35)19-18(24(20)34)15(32)11-16(40-2)23(19)33/h3-6,9-11,34-36H,7-8H2,1-2H3,(H,31,39)/b4-3+,6-5+
InChI key： BZONSJUONOFNNP-VNKDHWASSA-N
SMILES： COC1=CC(=O)c2c(O)c3C(=O)C4(CCc5cc6cc(/C=C/C=C/C)[nH]c(=O)c6c(O)c45)C(=O)c3c(O)c2C1=O
Systematic name  (3)：
  • 6′,7′-ジヒドロ-4,9,9′-トリヒドロキシ-6-メトキシ-3′-[(1E,3E)-1,3-ペンタジエニル]スピロ[2H-ベンゾ[f]インデン-2,8′-[8H]シクロペンタ[g]イソキノリン]-1,1′,3,5,8(2′H)-ペンタオン
  • 4,9,9'-トリヒドロキシ-7-メトキシ-3'-[(1E,3E)-ペンタ-1,3-ジエン-1-イル]-1,1',2',3,5,6',7',8-オクタヒドロスピロ[シクロペンタ[b]ナフタレン-2,8'-シクロペンタ[g]イソキノリン]-1,1',3,5,8-ペンタオン
  • 4,9,9'-trihydroxy-7-methoxy-3'-[(1E,3E)-penta-1,3-dien-1-yl]-1,1',2',3,5,6',7',8-octahydrospiro[cyclopenta[b]naphthalene-2,8'-cyclopenta[g]isoquinoline]-1,1',3,5,8-pentone
Other name (4)：
  • フレデリカマイシンA
  • NSC-305263
  • Fredericamycin A
  • 6′,7′-Dihydro-4,9,9′-trihydroxy-6-methoxy-3′-[(1E,3E)-1,3-pentadienyl]spiro[2H-benz[f]indene-2,8′-[8H]cyclopent[g]isoquinoline]-1,1′,3,5,8(2′H)-pentone
CAS registry number： 80455-68-1
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