Chem
J-GLOBAL ID:200907056829708537
Nikkaji number:J647.144G
CGP-58546
3′-デメチルスタウロスポリン
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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:
C27 H24 N4 O3
Molecular formula furigana:
C27-H24-N4-O3
Molecular weight:
452.514
InChI:
InChI=1S/C27H24N4O3/c1-27-25(32)16(28-2)11-19(34-27)30-17-9-5-3-7-13(17)21-22-15(12-29-26(22)33)20-14-8-4-6-10-18(14)31(27)24(20)23(21)30/h3-10,16,19,25,28,32H,11-12H2,1-2H3,(H,29,33)/t16-,19-,25-,27+/m1/s1
InChI key:
YFYYWLWHOINTHH-FCHZLITKSA-N
SMILES:
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Systematic name (4):
(9S)-2,3,10,11,12,13-ヘキサヒドロ-10α-ヒドロキシ-9-メチル-11α-(メチルアミノ)-9β,13β-エポキシ-1H,9H-ジインドロ[1,2,3-gh:3′,2′,1′-lm]ピロロ[3,4-j][1,7]ベンゾジアゾニン-1-オン
(9S,10R,11R,13R)-2,3,10,11,12,13-ヘキサヒドロ-10-ヒドロキシ-9-メチル-11-(メチルアミノ)-9,13-エポキシ-1H,9H-ジインドロ[1,2,3-gh:3′,2′,1′-lm]ピロロ[3,4-j][1,7]ベンゾジアゾニン-1-オン
(2S,3R,4R,6R)-3-ヒドロキシ-2-メチル-4-(メチルアミノ)-29-オキサ-1,7,17-トリアザオクタシクロ[12.12.2.12,6 .07,28 .08,13 .015,19 .020,27 .021,26 ]ノナコサ-8,10,12,14(28),15(19),20(27),21(26),22,24-ノナエン-16-オン
(2S,3R,4R,6R)-3-hydroxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6 .07,28 .08,13 .015,19 .020,27 .021,26 ]nonacosa-8,10,12,14(28),15(19),20(27),21(26),22,24-nonaen-16-one
Other name (6):
3′-デメトキシ-3′-ヒドロキシスタウロスポリン
3′-Demethoxy-3′-hydroxystaurosporine
CGP-58546
(9S,10R,11R,13R)-2,3,10,11,12,13-Hexahydro-10-hydroxy-9-methyl-11-(methylamino)-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3′,2′,1′-lm]pyrrolo[3,4-j][1,7]benzodiazonine-1-one
3′-Demethylstaurosporine
3′-デメチルスタウロスポリン
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