Chem
J-GLOBAL ID：200907002572047574   Nikkaji number：J39.328B

Aspidofractine

アスピドフラクチン
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： C22H26N2O3
Molecular formula furigana： C22-H26-N2-O3
Molecular weight： 366.461
InChI： InChI=1S/C22H26N2O3/c1-27-18(26)16-13-20-7-4-11-23-12-10-21(19(20)23)15-5-2-3-6-17(15)24(14-25)22(16,21)9-8-20/h2-3,5-6,14,16,19H,4,7-13H2,1H3/t16-,19-,20+,21+,22+/m0/s1
InChI key： XGYZDZNXCXHGBV-WVCANSMHSA-N
SMILES： COC(=O)[C@@H]1C[C@]23CCCN4CC[C@]5([C@H]24)c2ccccc2N(C=O)[C@]15CC3
Systematic name  (4)：
  • (2α,5α)-1-ホルミルアスピドフラクチニン-3β-カルボン酸メチル
  • (3aS,11bR,12R)-7-ホルミル-3,4α-プロパノ-4,6aβ-エタノ-2,3,3aα,4,5,6,6a,7-オクタヒドロ-1H-ピロロ[2,3-d]カルバゾール-12-カルボン酸メチル
  • メチル (1R,9R,16R,18R,21S)-2-ホルミル-2,12-ジアザヘキサシクロ[14.2.2.19,12.01,9.03,8.016,21]ヘンイコサ-3,5,7-トリエン-18-カルボキシラート
  • methyl (1R,9R,16R,18R,21S)-2-formyl-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
Other name (6)：
  • アスピドフラクチン
  • N-ホルミルコプシン
  • Aspidofractine
  • N-Formylkopsine
  • (2α,5α)-1-Formylaspidofractinine-3β-carboxylic acid methyl ester
Show all
CAS registry number： 2348-67-6
KEGG COMPOUND： C09040
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