Chem
J-GLOBAL ID：200907084449914987   Nikkaji number：J93.411I

Alternariolide

アルテルナリオリド
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： C23H31N3O6
Molecular formula furigana： C23-H31-N3-O6
Molecular weight： 445.516
InChI： InChI=1S/C23H31N3O6/c1-13(2)19-22(29)26-18(8-6-7-16-9-11-17(31-5)12-10-16)21(28)24-14(3)20(27)25-15(4)23(30)32-19/h9-13,15,18-19H,3,6-8H2,1-2,4-5H3,(H,24,28)(H,25,27)(H,26,29)/t15-,18-,19-/m0/s1
InChI key： SYONRRYXABHFOE-SNRMKQJTSA-N
SMILES： COc1ccc(CCC[C@@H]2NC(=O)[C@@H](OC(=O)[C@H](C)NC(=O)C(=C)NC2=O)C(C)C)cc1
Systematic name  (3)：
  • シクロ[Dha-L-Ala-3,3-ジメチル-L-Lac-5-(4-メトキシフェニル)-L-Nva-]
  • (3S,9S,12S)-9-[3-(4-メトキシフェニル)プロピル]-3-メチル-6-メチリデン-12-(プロパン-2-イル)-1-オキサ-4,7,10-トリアザシクロドデカン-2,5,8,11-テトラオン
  • (3S,9S,12S)-9-[3-(4-methoxyphenyl)propyl]-3-methyl-6-methylidene-12-(propan-2-yl)-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
Other name (7)：
  • AM-トキシンI
  • アルテルナリオリド
  • Alternariolide
  • AM-toxin I
  • Cyclo[Dha-L-Ala-3,3-dimethyl-L-Lac-5-(4-methoxyphenyl)-L-Nva-]
Show all
CAS registry number： 53193-10-5
KEGG COMPOUND： C16786
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