Chem
J-GLOBAL ID：200907073790459056   Nikkaji number：J238.645C

(+)-Cannabisativine

(+)-カンナビサチビン
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： C21H39N3O3
Molecular formula furigana： C21-H39-N3-O3
Molecular weight： 381.561
InChI： InChI=1S/C21H39N3O3/c1-2-3-4-11-19(25)21(27)18-10-7-9-17-16-20(26)23-14-6-5-12-22-13-8-15-24(17)18/h7,10,17-19,21-22,25,27H,2-6,8-9,11-16H2,1H3,(H,23,26)/t17-,18-,19+,21-/m1/s1
InChI key： KZZKPJBKEJKNAK-WERVVEIQSA-N
SMILES： CCCCC[C@H](O)[C@H](O)[C@H]1C=CC[C@@H]2CC(=O)NCCCCNCCCN12
Systematic name  (3)：
  • (13R,16aR)-13-[(1R,2S)-1,2-ジヒドロキシヘプチル]-1,4,5,6,7,8,9,10,11,13,16,16a-ドデカヒドロピリド[2,1-d][1,5,9]トリアザシクロトリデシン-2(3H)-オン
  • (13R,16aR)-13-[(1R,2S)-1,2-ジヒドロキシヘプチル]-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H,11H,13H,16H,16aH-ピリド[2,1-d]1,5,9-トリアザシクロトリデカン-2-オン
  • (13R,16aR)-13-[(1R,2S)-1,2-dihydroxyheptyl]-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H,11H,13H,16H,16aH-pyrido[2,1-d]1,5,9-triazacyclotridecan-2-one
Other name (3)：
  • (13R,16aR)-13-[(1R,2S)-1,2-Dihydroxyheptyl]-1,4,5,6,7,8,9,10,11,13,16,16a-dodecahydropyrido[2,1-d][1,5,9]triazacyclotridecin-2(3H)-one
  • (+)-カンナビサチビン
  • (+)-Cannabisativine
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