Chem
J-GLOBAL ID：200907000836283716   Nikkaji number：J386.919I

(3α,16α)-11-(4-Nitrobenzoyl)amino-eburnamenine-14-carboxylic acid methyl ester

(3α,16α)-11-(4-ニトロベンゾイル)アミノ-エブルナメニン-14-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： C28H28N3[N+]O4[O-]
Molecular formula furigana： C28-H28-N4-O5
Molecular weight： 500.555
InChI： InChI=1S/C28H28N4O5/c1-3-28-12-4-13-30-14-11-21-20-10-7-18(29-26(33)17-5-8-19(9-6-17)32(35)36)15-22(20)31(24(21)25(28)30)23(16-28)27(34)37-2/h5-10,15-16,25H,3-4,11-14H2,1-2H3,(H,29,33)/t25-,28+/m1/s1
InChI key： BSORROUIOFDBLQ-NAKRPHOHSA-N
SMILES： CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=C2)C(=O)OC)c1cc(NC(=O)c2ccc(cc2)[N+](=O)[O-])ccc41
Systematic name  (3)：
  • (3α,16α)-11-(4-ニトロベンゾイル)アミノ-エブルナメニン-14-カルボン酸メチル
  • メチル (15S,19S)-15-エチル-4-(4-ニトロベンズアミド)-1,11-ジアザペンタシクロ[9.6.2.02,7.08,18.015,19]ノナデカ-2,4,6,8(18),16-ペンタエン-17-カルボキシラート
  • methyl (15S,19S)-15-ethyl-4-(4-nitrobenzamido)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate
Other name (1)：
  • (3α,16α)-11-(4-Nitrobenzoyl)amino-eburnamenine-14-carboxylic acid methyl ester
Thsaurus map：
Thesaurus Map

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