Chem
J-GLOBAL ID：200907052553365104   Nikkaji number：J1.019.662K

(+)-Discorhabdin A

(+)-ジスコルハブジン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： C18H14BrN3O2S
Molecular formula furigana： C18-H14-BR-N3-O2-S
Molecular weight： 416.290
InChI： InChI=1S/C18H14BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h4,6,10-11,21-22H,1-3,5H2/t10?,11-,18-/m0/s1
InChI key： IMRWMDAHKYBDMQ-PZTXTRHNSA-N
SMILES： BrC1=C[C@@]23C[C@@H](NC4=C2C2=NCCc5c[nH]c(c25)C4=O)SC3CC1=O
Systematic name  (3)：
  • (1S,8′S)-2′,3′,5′,7′,8′,9′-ヘキサヒドロ-5-ブロモ-2,8′-エピチオスピロ[5-シクロヘキセン-1,10′(6′H)-ピロロ[4,3,2-de][1,7]フェナントロリン]-4,6′-ジオン
  • (3S,10S)-5-ブロモ-9-チア-11,15,20-トリアザヘキサシクロ[12.6.1.13,10.02,12.03,8.017,21]ドコサ-1(20),2(12),4,14(21),16-ペンタエン-6,13-ジオン
  • (3S,10S)-5-bromo-9-thia-11,15,20-triazahexacyclo[12.6.1.13,10.02,12.03,8.017,21]docosa-1(20),2(12),4,14(21),16-pentaene-6,13-dione
Other name (5)：
  • (1S,8′S)-2′,3′,5′,7′,8′,9′-Hexahydro-5-bromo-2,8′-epithiospiro[5-cyclohexene-1,10′(6′H)-pyrrolo[4,3,2-de][1,7]phenanthroline]-4,6′-dione
  • Discorhabdin A
  • ジスコルハブジンA
  • (+)-ジスコルハブジンA
  • (+)-Discorhabdin A
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