Chem
J-GLOBAL ID：200907023490039074   Nikkaji number：J15.729E

Annotine

アンノチン
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： C16H21NO3
Molecular formula furigana： C16-H21-N-O3
Molecular weight： 275.348
InChI： InChI=1S/C16H21NO3/c1-14-9-15-10-4-2-6-17(15)7-3-5-16(15,19)12(14)8-11(10)20-13(14)18/h3,5,10-12,19H,2,4,6-9H2,1H3/t10-,11-,12-,14-,15+,16+/m1/s1
InChI key： AAZRLGLWPJJDGC-ZILWLKBJSA-N
SMILES： C[C@@]12C[C@@]34[C@@H]5CCCN3CC=C[C@]4(O)[C@@H]1C[C@H]5OC2=O
Systematic name  (3)：
  • (1R,4R,5R)-4,5,5a,8,10,11,12,12aβ-オクタヒドロ-5aα-ヒドロキシ-4-メチル-1,5:4,12bα-ジメタノ-1H,3H,12bH-オキソシノ[3,4,5-ij]キノリジン-3-オン
  • (1S,2S,10S,11R,13R,16R)-10-ヒドロキシ-16-メチル-14-オキサ-6-アザペンタシクロ[8.7.0.01,6.02,13.011,16]ヘプタデカ-8-エン-15-オン
  • (1S,2S,10S,11R,13R,16R)-10-hydroxy-16-methyl-14-oxa-6-azapentacyclo[8.7.0.01,6.02,13.011,16]heptadec-8-en-15-one
Other name (5)：
  • アンノチン
  • アルカロイドL-11
  • Annotine
  • Alkaloid L-11
  • (1R,4R,5R)-4,5,5a,8,10,11,12,12aβ-Octahydro-5aα-hydroxy-4-methyl-1,5:4,12bα-dimethano-1H,3H,12bH-oxocino[3,4,5-ij]quinolizin-3-one
CAS registry number： 5096-59-3
KEGG COMPOUND： C09852
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