Chem
J-GLOBAL ID：200907090098318410   Nikkaji number：J1.965.473G

10-Decarboxymethylaclacinomycin T

10-デカルボキシメチルアクラシノマイシンT
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： C28H33NO8
Molecular formula furigana： C28-H33-N-O8
Molecular weight： 511.571
InChI： InChI=1S/C28H33NO8/c1-5-28(35)11-14-9-16-23(27(34)22-15(25(16)32)7-6-8-18(22)30)26(33)21(14)19(12-28)37-20-10-17(29(3)4)24(31)13(2)36-20/h6-9,13,17,19-20,24,30-31,33,35H,5,10-12H2,1-4H3/t13-,17-,19-,20-,24+,28-/m0/s1
InChI key： BLGDWFJQIHBUJY-NWJGULHDSA-N
SMILES： CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)N(C)C)c2c(C1)cc1C(=O)c3cccc(O)c3C(=O)c1c2O
Systematic name  (3)：
  • 2-エチル-1,2,3,4,6,11-ヘキサヒドロ-2α,5,7-トリヒドロキシ-4α-[[3-(ジメチルアミノ)-2,3,6-トリデオキシ-α-L-lyxo-ヘキソピラノシル]オキシ]-6,11-ジオキソナフタセン
  • (8S,10S)-10-{[(2R,4S,5S,6S)-4-(ジメチルアミノ)-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-8-エチル-1,8,11-トリヒドロキシ-5,7,8,9,10,12-ヘキサヒドロテトラセン-5,12-ジオン
  • (8S,10S)-10-{[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-8-ethyl-1,8,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
Other name (3)：
  • 2-Ethyl-1,2,3,4,6,11-hexahydro-2α,5,7-trihydroxy-4α-[[3-(dimethylamino)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-6,11-dioxonaphthacene
  • 10-デカルボキシメチルアクラシノマイシンT
  • 10-Decarboxymethylaclacinomycin T
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