Chem
J-GLOBAL ID:200907051827417738   Nikkaji number:J1.693.446A

(5α,12β,19α)-11β-(Benzoyloxy)-2,3-didehydroaspidospermidine-3-carboxylic acid methyl ester

(5α,12β,19α)-11β-(ベンゾイルオキシ)-2,3-ジデヒドロ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: C28H30N2O4
Molecular formula furigana: C28-H30-N2-O4
Molecular weight: 458.558
InChI: InChI=1S/C28H30N2O4/c1-3-27-14-9-15-30-17-22(34-24(31)18-10-5-4-6-11-18)28(26(27)30)20-12-7-8-13-21(20)29-23(28)19(16-27)25(32)33-2/h4-8,10-13,22,26,29H,3,9,14-17H2,1-2H3/t22-,26-,27-,28+/m0/s1
InChI key: HAVLDSPCFAXXRJ-HQVUIPKPSA-N
SMILES: CC[C@@]12CCCN3C[C@H](OC(=O)c4ccccc4)[C@@]4([C@H]13)C(=C(C2)C(=O)OC)Nc1ccccc41
Systematic name  (3):
  • (5α,12β,19α)-11β-(ベンゾイルオキシ)-2,3-ジデヒドロアスピドスペルミジン-3-カルボン酸メチル
  • メチル (1S,12S,18R,19S)-18-(ベンゾイルオキシ)-12-エチル-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,18R,19S)-18-(benzoyloxy)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
Other name (1):
  • (5α,12β,19α)-11β-(Benzoyloxy)-2,3-didehydroaspidospermidine-3-carboxylic acid methyl ester
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