Chem
J-GLOBAL ID：200907099444714324   Nikkaji number：J39.329K

Lonicerine

ロニセリン
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： C21H26N2O4
Molecular formula furigana： C21-H26-N2-O4
Molecular weight： 370.449
InChI： InChI=1S/C21H26N2O4/c1-3-13-11-22-17-10-15(13)19(12-24,18(25)26-2)20-8-9-27-21(17,20)23-16-7-5-4-6-14(16)20/h3-7,15,17,22-24H,8-12H2,1-2H3/b13-3-/t15-,17-,19+,20-,21-/m0/s1
InChI key： OQJSSGHGITUGKL-OAYYXMERSA-N
SMILES： COC(=O)[C@@]1(CO)[C@H]2C[C@H](NC/C/2=C/C)[C@@]23Nc4ccccc4[C@@]12CCO3
Systematic name  (3)：
  • (16S)-2α,5-エポキシ-1,2-ジヒドロ-16-(ヒドロキシメチル)-4,5-セコアクアンミラン-17-酸メチル
  • メチル (1S,9R,10S,13E,14S,15S)-13-エチリデン-15-(ヒドロキシメチル)-18-オキサ-8,11-ジアザペンタシクロ[7.6.3.110,14.01,9.02,7]ノナデカ-2,4,6-トリエン-15-カルボキシラート
  • methyl (1S,9R,10S,13E,14S,15S)-13-ethylidene-15-(hydroxymethyl)-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate
Other name (7)：
  • ロニセリン
  • 16-エピアスピドダシカルピン
  • 16-epi-アスピドダシカルピン
  • Lonicerine
  • 16-Epiaspidodasycarpine
Show all
CAS registry number： 26988-11-4
KEGG COMPOUND： C17557
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