Chem
J-GLOBAL ID：200907044078608045   Nikkaji number：J92.765A

11-Deoxydaunorubicin

11-デオキシダウノルビシン
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： C27H29NO9
Molecular formula furigana： C27-H29-N-O9
Molecular weight： 511.527
InChI： InChI=1S/C27H29NO9/c1-11-23(30)16(28)8-19(36-11)37-18-10-27(34,12(2)29)9-13-7-15-22(25(32)20(13)18)26(33)21-14(24(15)31)5-4-6-17(21)35-3/h4-7,11,16,18-19,23,30,32,34H,8-10,28H2,1-3H3/t11-,16-,18-,19-,23+,27-/m0/s1
InChI key： ZCLQMQOBRBUQOR-GRRPPOEGSA-N
SMILES： COc1cccc2C(=O)c3cc4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C
Systematic name  (3)：
  • (8S,10S)-8-アセチル-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]-8,11-ジヒドロキシ-7,8,9,10-テトラヒドロ-1-メトキシ-5,12-ナフタセンジオン
  • (8S,10S)-8-アセチル-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}-8,11-ジヒドロキシ-1-メトキシ-5,7,8,9,10,12-ヘキサヒドロテトラセン-5,12-ジオン
  • (8S,10S)-8-acetyl-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-8,11-dihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
Other name (3)：
  • 11-Deoxydaunorubicin
  • 11-デオキシダウノルビシン
  • (8S,10S)-8-Acetyl-10-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-8,11-dihydroxy-7,8,9,10-tetrahydro-1-methoxy-5,12-naphthacenedione
CAS registry number： 71800-91-4
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