Chem
J-GLOBAL ID：200907024871731175   Nikkaji number：J567.952D

Oxopropaline E

オキソプロパリンE
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： C21H24N2O6
Molecular formula furigana： C21-H24-N2-O6
Molecular weight： 400.431
InChI： InChI=1S/C21H24N2O6/c1-10-9-22-16(17-15(10)12-5-3-4-6-13(12)23-17)14(24)7-8-28-21-20(27)19(26)18(25)11(2)29-21/h3-6,9,11,18-21,23,25-27H,7-8H2,1-2H3/t11-,18-,19+,20+,21+/m0/s1
InChI key： FSOBSGJDWJWABF-YOHLVPJJSA-N
SMILES： C[C@@H]1O[C@@H](OCCC(=O)c2ncc(C)c3c4ccccc4[nH]c23)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 1-[4-メチル-9H-ピリド[3,4-b]インドール-1-イル]-3-(α-L-ラムノピラノシルオキシ)-1-プロパノン
  • 1-{4-メチル-9H-ピリド[3,4-b]インドール-1-イル}-3-{[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}プロパン-1-オン
  • 1-{4-methyl-9H-pyrido[3,4-b]indol-1-yl}-3-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}propan-1-one
Other name (3)：
  • オキソプロパリンE
  • Oxopropaline E
  • 1-[4-Methyl-9H-pyrido[3,4-b]indol-1-yl]-3-(α-L-rhamnopyranosyloxy)-1-propanone
CAS registry number： 152752-60-8
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