Chem
J-GLOBAL ID：200907034199273126   Nikkaji number：J1.952.518J

(6′S,10S)-5-Tosyl-5′-bromo-6′β,8α-epoxy-2,3,5,6,7,8-hexahydrospiro[pyrrolo[4,3,2-de][1,7]phenanthroline-10(9H),1′-[2]cyclohexene]-4′,6-dione

(6′S,10S)-5-トシル-5′-ブロモ-6′β,8α-エポキシ-2,3,5,6,7,8-ヘキサヒドロスピロ[ピロロ[4,3,2-de][1,7]フェナントロリン-10(9H),1′-[2]シクロヘキセン]-4′,6-ジオン
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： C25H20BrN3O5S
Molecular formula furigana： C25-H20-BR-N3-O5-S
Molecular weight： 554.420
InChI： InChI=1S/C25H20BrN3O5S/c1-12-2-4-14(5-3-12)35(32,33)29-11-13-7-9-27-20-17(13)22(29)23(31)21-18(20)25-8-6-15(30)19(26)24(25)34-16(10-25)28-21/h2-6,8,11,16,19,24,28H,7,9-10H2,1H3/t16-,19?,24-,25-/m1/s1
InChI key： IVSRUUBPNZFAHN-ZZOAUQJBSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)n1cc2CCN=C3c2c1C(=O)C1=C3[C@@]23C[C@H](N1)O[C@@H]2C(Br)C(=O)C=C3
Systematic name  (3)：
  • (6′S,10S)-5-トシル-5′-ブロモ-6′β,8α-エポキシ-2,3,5,6,7,8-ヘキサヒドロスピロ[ピロロ[4,3,2-de][1,7]フェナントロリン-10(9H),1′-[2]シクロヘキセン]-4′,6-ジオン
  • (3S,8S,10R)-7-ブロモ-15-(4-メチルベンゼンスルホニル)-9-オキサ-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,8S,10R)-7-bromo-15-(4-methylbenzenesulfonyl)-9-oxa-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 (1)：
  • (6′S,10S)-5-Tosyl-5′-bromo-6′β,8α-epoxy-2,3,5,6,7,8-hexahydrospiro[pyrrolo[4,3,2-de][1,7]phenanthroline-10(9H),1′-[2]cyclohexene]-4′,6-dione
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