Chem
J-GLOBAL ID：201007059072312207   Nikkaji number：J2.786.894K

Chrotacumine D

クロタクミンD
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： C25H27NO8
Molecular formula furigana： C25-H27-N-O8
Molecular weight： 469.490
InChI： InChI=1S/C25H27NO8/c1-13-9-16(27)23-18(29)11-17(28)22(24(23)33-13)15-7-8-26(2)12-21(15)34-25(30)14-5-6-19(31-3)20(10-14)32-4/h5-6,9-11,15,21,28-29H,7-8,12H2,1-4H3/t15-,21+/m0/s1
InChI key： RIKKYJZEZQRRQP-YCRPNKLZSA-N
SMILES： COc1ccc(cc1OC)C(=O)O[C@@H]1CN(C)CC[C@@H]1c1c(O)cc(O)c2c1oc(C)cc2=O
Systematic name  (3)：
  • 2-メチル-5,7-ジヒドロキシ-8-[(3S,4R)-1-メチル-3-(3,4-ジメトキシベンゾイルオキシ)-4-ピペリジニル]-4H-1-ベンゾピラン-4-オン
  • (3S,4R)-4-(5,7-ジヒドロキシ-2-メチル-4-オキソ-4H-クロメン-8-イル)-1-メチルピペリジン-3-イル 3,4-ジメトキシベンゾアート
  • (3S,4R)-4-(5,7-dihydroxy-2-methyl-4-oxo-4H-chromen-8-yl)-1-methylpiperidin-3-yl 3,4-dimethoxybenzoate
Other name (3)：
  • 2-Methyl-5,7-dihydroxy-8-[(3S,4R)-1-methyl-3-(3,4-dimethoxybenzoyloxy)-4-piperidinyl]-4H-1-benzopyran-4-one
  • クロタクミンD
  • Chrotacumine D
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