Chem
J-GLOBAL ID：200907075779530264   Nikkaji number：J1.345.050A

Herquline A

ヘルクリンA
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： C19H26N2O2
Molecular formula furigana： C19-H26-N2-O2
Molecular weight： 314.429
InChI： InChI=1S/C19H26N2O2/c1-20-9-14-8-12-3-5-17(23)18-15-7-11(2-4-16(15)22)6-13(20)10-21(14)19(12)18/h7,12-15,18-19H,2-6,8-10H2,1H3/t12-,13+,14+,15+,18+,19+/m1/s1
InChI key： UFKNDVKQCSBIQE-OCANJJRCSA-N
SMILES： CN1C[C@@H]2C[C@H]3CCC(=O)[C@H]4[C@H]3N2C[C@@H]1CC1=C[C@H]4C(=O)CC1
Systematic name  (3)：
  • (1R,5R,7S,10S,16R,17S)-9-メチル-9,18-ジアザペンタシクロ[8.6.3.112,16.05,17.07,18]イコサン-12(20)-エン-2,15-ジオン
  • (2S,3R,7R,8R,14S,17S)-15-メチル-1,15-ジアザペンタシクロ[12.3.1.13,17.18,12.02,7]イコサ-12(20)-エン-6,9-ジオン
  • (2S,3R,7R,8R,14S,17S)-15-methyl-1,15-diazapentacyclo[12.3.1.13,17.18,12.02,7]icos-12(20)-ene-6,9-dione
Other name (3)：
  • (1R,5R,7S,10S,16R,17S)-9-Methyl-9,18-diazapentacyclo[8.6.3.112,16.05,17.07,18]icosane-12(20)-ene-2,15-dione
  • ヘルクリンA
  • Herquline A
CAS registry number： 71812-08-3
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