Chem
J-GLOBAL ID:200907074594482593   Nikkaji number:J2.396.611E

2,3-Didehydro-7-ethyl-7β-hydroxy-20,21-dinoraspidospermidine-3-carboxylic acid methyl ester

2,3-ジデヒドロ-7-エチル-7β-ヒドロキシ-20,21-ジノルアスピドスペルミジン-3-カルボン酸メチル
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: C21H26N2O3
Molecular formula furigana: C21-H26-N2-O3
Molecular weight: 354.450
InChI: InChI=1S/C21H26N2O3/c1-3-20(25)11-13-10-14(19(24)26-2)17-21(8-9-23(12-20)18(13)21)15-6-4-5-7-16(15)22-17/h4-7,13,18,22,25H,3,8-12H2,1-2H3/t13-,18+,20-,21+/m0/s1
InChI key: CPNXQIOMUYAVKQ-NHOOAETJSA-N
SMILES: CC[C@]1(O)C[C@@H]2CC(=C3Nc4ccccc4[C@@]43CCN(C1)[C@H]24)C(=O)OC
Systematic name  (3):
  • 2,3-ジデヒドロ-7-エチル-7β-ヒドロキシ-20,21-ジノルアスピドスペルミジン-3-カルボン酸メチル
  • メチル (1S,12S,14S,19R)-14-エチル-14-ヒドロキシ-8,16-ジアザペンタシクロ[10.6.1.01,9.02,7.016,19]ノナデカ-2,4,6,9-テトラエン-10-カルボキシラート
  • methyl (1S,12S,14S,19R)-14-ethyl-14-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
Other name (1):
  • 2,3-Didehydro-7-ethyl-7β-hydroxy-20,21-dinoraspidospermidine-3-carboxylic acid methyl ester
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