Chem
J-GLOBAL ID：200907018235737929   Nikkaji number：J16.101B

Calycanthidine

カリカンチジン
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： C23H28N4
Molecular formula furigana： C23-H28-N4
Molecular weight： 360.505
InChI： InChI=1S/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3/t20-,21-,22-,23-/m0/s1
InChI key： GSQUXSFTXJRLQJ-MLCQCVOFSA-N
SMILES： CN1CC[C@]2([C@H]1Nc1ccccc21)[C@]12CCN(C)[C@H]1N(C)c1ccccc21
Systematic name  (3)：
  • (3aR,3′aR,8aS,8′aS)-2,2′,3,3′,8,8′,8a,8′a-オクタヒドロ-1,1′,8-トリメチル-3a,3′a(1H,1′H)-ビピロロ[2,3-b]インドール
  • (3aR,8aS)-3a-[(3aR,8aS)-1-メチル-1H,2H,3H,3aH,8H,8aH-ピロロ[2,3-b]インドール-3a-イル]-1,8-ジメチル-1H,2H,3H,3aH,8H,8aH-ピロロ[2,3-b]インドール
  • (3aR,8aS)-3a-[(3aR,8aS)-1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl]-1,8-dimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indole
Other name (3)：
  • カリカンチジン
  • Calycanthidine
  • (3aR,3′aR,8aS,8′aS)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′,8-trimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole
CAS registry number： 5516-85-8
KEGG COMPOUND： C09097
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