Chem
J-GLOBAL ID:200907049367120117   Nikkaji number:J630.837F

20-epi-19ζ-echitamidine

20-エピ-19ξ-エキタミジン
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: C20H24N2O3
Molecular formula furigana: C20-H24-N2-O3
Molecular weight: 340.423
InChI: InChI=1S/C20H24N2O3/c1-11(23)13-10-22-8-7-20-14-5-3-4-6-15(14)21-18(20)17(19(24)25-2)12(13)9-16(20)22/h3-6,11-13,16,21,23H,7-10H2,1-2H3/t11?,12-,13+,16-,20?/m0/s1
InChI key: DWLJVOJBWLYMJO-UKVSKWLLSA-N
SMILES: COC(=O)C1=C2Nc3ccccc3C32CCN2C[C@H](C(C)O)[C@@H]1C[C@@H]32
Systematic name  (3):
  • (19ξ,20R)-2,16-ジデヒドロ-19-ヒドロキシクラン-17-酸メチル
  • メチル (11S,12R,17S)-12-(1-ヒドロキシエチル)-8,14-ジアザペンタシクロ[9.5.2.01,9.02,7.014,17]オクタデカ-2,4,6,9-テトラエン-10-カルボキシラート
  • methyl (11S,12R,17S)-12-(1-hydroxyethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
Other name (3):
  • 20-エピ-19ξ-エキタミジン
  • 20-epi-19ζ-echitamidine
  • (19ξ,20R)-2,16-Didehydro-19-hydroxycuran-17-oic acid methyl ester
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