Chem
J-GLOBAL ID：200907007727999145   Nikkaji number：J2.775.793F

(αZ,βS,1S)-β-[(S)-1-Formyl-2-propenyl]-2,3,4,9-tetrahydro-α-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoic acid methyl ester

(αZ,βS,1S)-β-[(S)-1-ホルミル-2-プロペニル]-2,3,4,9-テトラヒドロ-α-(ヒドロキシメチレン)-1H-ピリド[3,4-b]インドール-1-ブタン酸メチル
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： C21H24N2O4
Molecular formula furigana： C21-H24-N2-O4
Molecular weight： 368.433
InChI： InChI=1S/C21H24N2O4/c1-3-13(11-24)16(17(12-25)21(26)27-2)10-19-20-15(8-9-22-19)14-6-4-5-7-18(14)23-20/h3-7,11-13,16,19,22-23,25H,1,8-10H2,2H3/b17-12-/t13-,16+,19+/m1/s1
InChI key： ZNZYKNKBJPZETN-LFAXUSOYSA-N
SMILES： COC(=O)/C(=C\O)/[C@@H](C[C@@H]1NCCc2c1[nH]c1ccccc21)[C@H](C=C)C=O
Systematic name  (3)：
  • (αZ,βS,1S)-β-[(S)-1-ホルミル-2-プロペニル]-2,3,4,9-テトラヒドロ-α-(ヒドロキシメチレン)-1H-ピリド[3,4-b]インドール-1-ブタン酸メチル
  • メチル (2Z,3S,4S)-4-ホルミル-2-(ヒドロキシメチリデン)-3-{[(1S)-1H,2H,3H,4H,9H-ピリド[3,4-b]インドール-1-イル]メチル}ヘキサ-5-エノアート
  • methyl (2Z,3S,4S)-4-formyl-2-(hydroxymethylidene)-3-{[(1S)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl]methyl}hex-5-enoate
Other name (1)：
  • (αZ,βS,1S)-β-[(S)-1-Formyl-2-propenyl]-2,3,4,9-tetrahydro-α-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoic acid methyl ester
CAS registry number： 73168-54-4
KEGG COMPOUND： C11678
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