Chem
J-GLOBAL ID：200907011836928921   Nikkaji number：J93.383J

4-O-Demethyl-11-deoxydoxorubicin

4-O-デメチル-11-デオキシドキソルビシン
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： C26H27NO10
Molecular formula furigana： C26-H27-N-O10
Molecular weight： 513.499
InChI： InChI=1S/C26H27NO10/c1-10-22(31)14(27)6-18(36-10)37-16-8-26(35,17(30)9-28)7-11-5-13-21(24(33)19(11)16)25(34)20-12(23(13)32)3-2-4-15(20)29/h2-5,10,14,16,18,22,28-29,31,33,35H,6-9,27H2,1H3/t10-,14-,16-,18-,22+,26-/m0/s1
InChI key： ROILTUODAPUWLG-NRFWZUBKSA-N
SMILES： C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(Cc2cc3C(=O)c4cccc(O)c4C(=O)c3c(O)c12)C(=O)CO
Systematic name  (3)：
  • (8S,10S)-10-[(3-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]-7,8,9,10-テトラヒドロ-8-(ヒドロキシアセチル)-1,8,11-トリヒドロキシナフタセン-5,12-ジオン
  • (8S,10S)-10-{[(2R,4S,5S,6S)-4-アミノ-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-1,8,11-トリヒドロキシ-8-(2-ヒドロキシアセチル)-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-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-1,8,11-trihydroxy-8-(2-hydroxyacetyl)-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
Other name (3)：
  • 4-O-Demethyl-11-deoxydoxorubicin
  • 4-O-デメチル-11-デオキシドキソルビシン
  • (8S,10S)-10-[(3-Amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-8-(hydroxyacetyl)-1,8,11-trihydroxynaphthacene-5,12-dione
CAS registry number： 81382-05-0
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