Chem
J-GLOBAL ID：200907076505505472   Nikkaji number：J18.335K

Magellanine

マゲラニン
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： C17H25NO2
Molecular formula furigana： C17-H25-N-O2
Molecular weight： 275.392
InChI： InChI=1S/C17H25NO2/c1-10-5-12-7-14(19)16-13-3-4-18(2)9-11(13)8-17(12,16)15(20)6-10/h6,11-14,16,19H,3-5,7-9H2,1-2H3/t11-,12+,13+,14+,16+,17-/m1/s1
InChI key： ADRPSBGLUHNVOU-INSRFAMQSA-N
SMILES： CN1CC[C@H]2[C@H](C[C@]34[C@H](C[C@H](O)[C@H]23)CC(=CC4=O)C)C1
Systematic name  (4)：
  • (4aS,11aS)-4,4aα,5,6,6aβ,6bα,7,8,9,10,10aα,11-ドデカヒドロ-6α-ヒドロキシ-3,9-ジメチル-1H-ベンゾ[3a,4]ペンタレノ[2,1-c]ピリジン-1-オン
  • (11aS)-3,9-ジメチル-6α-ヒドロキシ-4,4aα,5,6,6aβ,6bα,7,8,9,10,10aα,11-ドデカヒドロ-1H-ベンゾ[3a,4]ペンタレノ[2,1-c]ピリジン-1-オン
  • (1S,3S,8S,9R,10S,12S)-10-ヒドロキシ-5,14-ジメチル-5-アザテトラシクロ[7.7.0.01,12.03,8]ヘキサデカ-14-エン-16-オン
  • (1S,3S,8S,9R,10S,12S)-10-hydroxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one
Other name (5)：
  • マゲラニン
  • Magellanine
  • (4aS,11aS)-4,4aα,5,6,6aβ,6bα,7,8,9,10,10aα,11-Dodecahydro-6α-hydroxy-3,9-dimethyl-1H-benzo[3a,4]pentaleno[2,1-c]pyridin-1-one
  • (11aS)-3,9-Dimethyl-6α-hydroxy-4,4aα,5,6,6aβ,6bα,7,8,9,10,10aα,11-dodecahydro-1H-benzo[3a,4]pentaleno[2,1-c]pyridine-1-one
  • (-)-マゲラニン
CAS registry number： 61273-75-4
KEGG COMPOUND： C09886
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