Chem
J-GLOBAL ID：200907099603782310   Nikkaji number：J2.741.534B

Strictosidine aglycone

ストリクトシジンアグリコン
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： C21H24N2O4
Molecular formula furigana： C21-H24-N2-O4
Molecular weight： 368.433
InChI： InChI=1S/C21H24N2O4/c1-3-12-15(16(20(24)26-2)11-27-21(12)25)10-18-19-14(8-9-22-18)13-6-4-5-7-17(13)23-19/h3-7,11-12,15,18,21-23,25H,1,8-10H2,2H3/t12-,15+,18+,21-/m1/s1
InChI key： HXLWDALZXJIPSY-LPIRWUFSSA-N
SMILES： COC(=O)C1=CO[C@@H](O)[C@H](C=C)[C@@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21
Systematic name  (3)：
  • (2R)-3α-エテニル-2β-ヒドロキシ-4α-[[(1S)-2,3,4,9-テトラヒドロ-1H-ピリド[3,4-b]インドール-1-イル]メチル]-3,4-ジヒドロ-2H-ピラン-5-カルボン酸メチル
  • メチル (2R,3R,4S)-3-エテニル-2-ヒドロキシ-4-{[(1S)-1H,2H,3H,4H,9H-ピリド[3,4-b]インドール-1-イル]メチル}-3,4-ジヒドロ-2H-ピラン-5-カルボキシラート
  • methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-{[(1S)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl]methyl}-3,4-dihydro-2H-pyran-5-carboxylate
Other name (3)：
  • (2R)-3α-Ethenyl-2β-hydroxy-4α-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxylic acid methyl ester
  • Strictosidine aglycone
  • ストリクトシジンアグリコン
CAS registry number： 85925-13-9
KEGG COMPOUND： C03309
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