Chem
J-GLOBAL ID：200907024924574654   Nikkaji number：J866.787J

Sch-54445

(1S)-13-アミノ-4aα,8aβ,9,17aα-テトラヒドロ-1β,15,16-トリヒドロキシ-4β-メトキシ-10-クロロ-12-(1-メチルプロピル)-1H-キサンテノ[4′,3′,2′:4,5][1,3]ベンゾジオキシノ[7,6-g]イソキノリン-14,17(4H,13H)-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： C30H29ClN2O9
Molecular formula furigana： C30-H29-CL-N2-O9
Molecular weight： 597.020
InChI： InChI=1S/C30H29ClN2O9/c1-4-10(2)13-7-11-18(30(38)33(13)32)24(35)17-12(23(11)31)8-16-20-21(17)26(37)22-25(36)19-14(34)5-6-15(39-3)27(19)42-29(22)28(20)41-9-40-16/h5-7,10,14-16,19,27,34-35,37H,4,8-9,32H2,1-3H3/t10?,14-,15+,16+,19+,27+/m0/s1
InChI key： LGOPVBMUGSRUOT-NLGWJYKOSA-N
SMILES： CCC(C)c1cc2c(Cl)c3C[C@H]4OCOc5c6O[C@@H]7[C@H](OC)C=C[C@H](O)[C@@H]7C(=O)c6c(O)c(c45)c3c(O)c2c(=O)n1N
Systematic name  (3)：
  • (1S)-13-アミノ-4aα,8aβ,9,17aα-テトラヒドロ-1β,15,16-トリヒドロキシ-4β-メトキシ-10-クロロ-12-(1-メチルプロピル)-1H-キサンテノ[4′,3′,2′:4,5][1,3]ベンゾジオキシノ[7,6-g]イソキノリン-14,17(4H,13H)-ジオン
  • (13R,20S,21R,24S,25S)-6-アミノ-7-(ブタン-2-イル)-10-クロロ-3,24,28-トリヒドロキシ-21-メトキシ-14,16,19-トリオキサ-6-アザヘプタシクロ[15.11.1.02,11.04,9.013,29.018,27.020,25]ノナコサ-1(29),2(11),3,7,9,17,22,27-オクタエン-5,26-ジオン
  • (13R,20S,21R,24S,25S)-6-amino-7-(butan-2-yl)-10-chloro-3,24,28-trihydroxy-21-methoxy-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2(11),3,7,9,17,22,27-octaene-5,26-dione
Other name (2)：
  • Sch-54445
  • (1S)-13-Amino-4aα,8aβ,9,17aα-tetrahydro-1β,15,16-trihydroxy-4β-methoxy-10-chloro-12-(1-methylpropyl)-1H-xantheno[4′,3′,2′:4,5][1,3]benzodioxino[7,6-g]isoquinoline-14,17(4H,13H)-dione
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