Chem
J-GLOBAL ID：200907084983030199   Nikkaji number：J567.949D

Oxopropaline A

オキソプロパリンA
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： C21H24N2O7
Molecular formula furigana： C21-H24-N2-O7
Molecular weight： 416.430
InChI： InChI=1S/C21H24N2O7/c1-9-7-22-16(15-14(9)11-5-3-4-6-12(11)23-15)18(26)13(8-24)30-21-20(28)19(27)17(25)10(2)29-21/h3-7,10,13,17,19-21,23-25,27-28H,8H2,1-2H3/t10-,13?,17-,19+,20+,21-/m0/s1
InChI key： KASBSLTUMGOYEE-WAEFKPECSA-N
SMILES： C[C@@H]1O[C@@H](OC(CO)C(=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]-2-(α-L-ラムノピラノシルオキシ)-3-ヒドロキシ-1-プロパノン
  • 3-ヒドロキシ-1-{4-メチル-9H-ピリド[3,4-b]インドール-1-イル}-2-{[(2S,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
  • 3-hydroxy-1-{4-methyl-9H-pyrido[3,4-b]indol-1-yl}-2-{[(2S,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A
  • Oxopropaline A
  • 1-[4-Methyl-9H-pyrido[3,4-b]indol-1-yl]-2-(α-L-rhamnopyranosyloxy)-3-hydroxy-1-propanone
CAS registry number： 152752-57-3
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