Chem
J-GLOBAL ID：200907053919617876   Nikkaji number：J1.814.057H

Nangustine

ナングスチン
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： C16H17NO4
Molecular formula furigana： C16-H17-N-O4
Molecular weight： 287.315
InChI： InChI=1S/C16H17NO4/c18-12-2-1-9-11-6-17(15(9)16(12)19)5-8-3-13-14(4-10(8)11)21-7-20-13/h1,3-4,11-12,15-16,18-19H,2,5-7H2/t11-,12+,15-,16-/m1/s1
InChI key： SZJIAQIHDKIFGC-NOXHYTERSA-N
SMILES： O[C@H]1CC=C2[C@H]3CN(Cc4cc5OCOc5cc34)[C@H]2[C@@H]1O
Systematic name  (3)：
  • (6aR)-5,6aα,7,8,9,11-ヘキサヒドロ-6β,11β-メタノ-6H-1,3-ベンゾジオキソロ[5,6-c][1]ベンゾアゼピン-7α,8β-ジオール
  • (1S,13R,14S,15S)-5,7-ジオキサ-12-アザペンタシクロ[10.6.1.02,10.04,8.013,18]ノナデカ-2,4(8),9,17-テトラエン-14,15-ジオール
  • (1S,13R,14S,15S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraene-14,15-diol
Other name (3)：
  • (6aR)-5,6aα,7,8,9,11-Hexahydro-6β,11β-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-7α,8β-diol
  • Nangustine
  • ナングスチン
KEGG COMPOUND： C12185
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