Chem
J-GLOBAL ID：200907062247049806   Nikkaji number：J7.577I

Lochnericine

ロクネリシン
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： C21H24N2O3
Molecular formula furigana： C21-H24-N2-O3
Molecular weight： 352.434
InChI： InChI=1S/C21H24N2O3/c1-3-20-10-12(18(24)25-2)16-21(13-6-4-5-7-14(13)22-16)8-9-23(19(20)21)11-15-17(20)26-15/h4-7,15,17,19,22H,3,8-11H2,1-2H3/t15-,17-,19-,20+,21-/m0/s1
InChI key： AUVZFRDLRJQTQF-KXEYLTKFSA-N
SMILES： CC[C@@]12CC(=C3Nc4ccccc4[C@]43CCN(C[C@@H]3O[C@H]13)[C@@H]24)C(=O)OC
Systematic name  (4)：
  • (5α,6α,7α,12R,19R)-2,3-ジデヒドロ-6,7-エポキシアスピドスペルミジン-3-カルボン酸メチル
  • (5α,12R,19α)-2,3-ジデヒドロ-6α,7α-エポキシアスピドスペルミジン-3-カルボン酸メチル
  • メチル (1R,12S,13R,15S,20R)-12-エチル-14-オキサ-8,17-ジアザヘキサシクロ[10.7.1.01,9.02,7.013,15.017,20]イコサ-2,4,6,9-テトラエン-10-カルボキシラート
  • methyl (1R,12S,13R,15S,20R)-12-ethyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
Other name (5)：
  • ロクネリン
  • ロクネリシン
  • Lochnericine
  • (5α,6α,7α,12R,19R)-2,3-Didehydro-6,7-epoxyaspidospermidine-3-carboxylic acid methyl ester
  • (5α,12R,19α)-2,3-Didehydro-6α,7α-epoxyaspidospermidine-3-carboxylic acid methyl ester
CAS registry number： 72058-36-7
KEGG COMPOUND： C11676
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