Chem
J-GLOBAL ID:200907048269728666   Nikkaji number:J449.971I

(8S,10S)-8-Acetyl-10-[(2-fluoro-3-amino-2,3,6-trideoxy-α-L-talo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione

(8S,10S)-8-アセチル-10-[(2-フルオロ-3-アミノ-2,3,6-トリデオキシ-α-L-talo-ヘキソピラノシル)オキシ]-7,8,9,10-テトラヒドロ-6,8,11-トリヒドロキシ-1-メトキシ-5,12-ナフタセンジオン
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: C27H28FNO10
Molecular formula furigana: C27-H28-F-N-O10
Molecular weight: 545.516
InChI: InChI=1S/C27H28FNO10/c1-9-21(31)20(29)19(28)26(38-9)39-14-8-27(36,10(2)30)7-12-16(14)25(35)18-17(23(12)33)22(32)11-5-4-6-13(37-3)15(11)24(18)34/h4-6,9,14,19-21,26,31,33,35-36H,7-8,29H2,1-3H3/t9-,14-,19+,20-,21+,26-,27-/m0/s1
InChI key: WMMMULNRYCDWMK-YGCLICFOSA-N
SMILES: COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](N)[C@H]5F)c4c(O)c3C(=O)c12)C(=O)C
Systematic name  (3):
  • (8S,10S)-8-アセチル-10-[(2-フルオロ-3-アミノ-2,3,6-トリデオキシ-α-L-talo-ヘキソピラノシル)オキシ]-7,8,9,10-テトラヒドロ-6,8,11-トリヒドロキシ-1-メトキシ-5,12-ナフタセンジオン
  • (8S,10S)-8-アセチル-10-{[(2R,3R,4R,5S,6S)-4-アミノ-3-フルオロ-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-6,8,11-トリヒドロキシ-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,3R,4R,5S,6S)-4-amino-3-fluoro-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
Other name (1):
  • (8S,10S)-8-Acetyl-10-[(2-fluoro-3-amino-2,3,6-trideoxy-α-L-talo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione
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