Chem
J-GLOBAL ID：200907018946853832   Nikkaji number：J13.576C

Akuammicine

アクアンミシン
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： C20H22N2O2
Molecular formula furigana： C20-H22-N2-O2
Molecular weight： 322.408
InChI： InChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22/h3-7,13,16,21H,8-11H2,1-2H3/b12-3-/t13-,16-,20?/m0/s1
InChI key： AGZMFTKKLPHOMT-WPHFDDBRSA-N
SMILES： COC(=O)C1=C2Nc3ccccc3C32CCN2C/C(=C/C)/[C@@H]1C[C@@H]32
Systematic name  (3)：
  • (19E)-2,16,19,20-テトラデヒドロクラン-17-酸メチル
  • メチル (11S,12E,17S)-12-エチリデン-8,14-ジアザペンタシクロ[9.5.2.01,9.02,7.014,17]オクタデカ-2,4,6,9-テトラエン-10-カルボキシラート
  • methyl (11S,12E,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
Other name (5)：
  • アクアンミシン
  • Akuammicine
  • (+)-アクアンミシン
  • (+)-Akuammicine
  • (19E)-2,16,19,20-Tetradehydrocuran-17-oic acid methyl ester
CAS registry number： 639-43-0
KEGG COMPOUND： C09025
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