Chem
J-GLOBAL ID：200907094114561988   Nikkaji number：J480.066D

(9S)-2,3,9,10,11,12-Hexahydro-10-(hydroxymethyl)-10β-hydroxy-9-methyl-9β,12β-epoxy-1H-diindolo[1,2,3-fg:3′,2′,1′-kl]pyrrolo[3,4-i][1,6]benzodiazocin-1-one

(9S)-2,3,9,10,11,12-ヘキサヒドロ-10-(ヒドロキシメチル)-10β-ヒドロキシ-9-メチル-9β,12β-エポキシ-1H-ジインドロ[1,2,3-fg:3′,2′,1′-kl]ピロロ[3,4-i][1,6]ベンゾジアゾシン-1-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： C26H21N3O4
Molecular formula furigana： C26-H21-N3-O4
Molecular weight： 439.471
InChI： InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18?,25-,26+/m0/s1
InChI key： UIARLYUEJFELEN-XINCGQIGSA-N
SMILES： C[C@]12O[C@H](C[C@@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Systematic name  (3)：
  • (9S)-2,3,9,10,11,12-ヘキサヒドロ-10-(ヒドロキシメチル)-10β-ヒドロキシ-9-メチル-9β,12β-エポキシ-1H-ジインドロ[1,2,3-fg:3′,2′,1′-kl]ピロロ[3,4-i][1,6]ベンゾジアゾシン-1-オン
  • (15S,16R,18R)-16-ヒドロキシ-16-(ヒドロキシメチル)-15-メチル-28-オキサ-4,14,19-トリアザオクタシクロ[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]オクタコサ-1(26),2(6),7(27),8,10,12,20(25),21,23-ノナエン-3-オン
  • (15S,16R,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1(26),2(6),7(27),8,10,12,20(25),21,23-nonaen-3-one
Other name (1)：
  • (9S)-2,3,9,10,11,12-Hexahydro-10-(hydroxymethyl)-10β-hydroxy-9-methyl-9β,12β-epoxy-1H-diindolo[1,2,3-fg:3′,2′,1′-kl]pyrrolo[3,4-i][1,6]benzodiazocin-1-one
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