Chem
J-GLOBAL ID：200907009004081185   Nikkaji number：J940.047H

Alnumycin

アルヌマイシン
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： C22H24O8
Molecular formula furigana： C22-H24-O8
Molecular weight： 416.426
InChI： InChI=1S/C22H24O8/c1-3-4-16-18-11(5-10(2)29-16)6-12-14(24)7-13(20(26)19(12)21(18)27)22-28-9-15(25)17(8-23)30-22/h5-7,15-17,22-23,25,27H,3-4,8-9H2,1-2H3/t15-,16?,17+,22-/m1/s1
InChI key： DRXHQLTVRTWTGH-WABLBPIPSA-N
SMILES： CCCC1OC(=Cc2cc3C(=O)C=C([C@@H]4OC[C@@H](O)[C@H](CO)O4)C(=O)c3c(O)c12)C
Systematic name  (3)：
  • 1-プロピル-3-メチル-8-[(2R)-4β-(ヒドロキシメチル)-5α-ヒドロキシ-1,3-ジオキサン-2β-イル]-10-ヒドロキシ-1H-ナフト[2,3-c]ピラン-6,9-ジオン
  • 10-ヒドロキシ-8-[(2R,4S,5R)-5-ヒドロキシ-4-(ヒドロキシメチル)-1,3-ジオキサン-2-イル]-3-メチル-1-プロピル-1H,6H,9H-シクロヘキサ[g]イソクロメン-6,9-ジオン
  • 10-hydroxy-8-[(2R,4S,5R)-5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methyl-1-propyl-1H,6H,9H-cyclohexa[g]isochromene-6,9-dione
Other name (3)：
  • アルヌマイシン
  • Alnumycin
  • 1-Propyl-3-methyl-8-[(2R)-4β-(hydroxymethyl)-5α-hydroxy-1,3-dioxan-2β-yl]-10-hydroxy-1H-naphtho[2,3-c]pyran-6,9-dione
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