Chem
J-GLOBAL ID：200907024237907210   Nikkaji number：J1.529.355A

Nigernin B

ニゲルニンB
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： C20H32
Molecular formula furigana： C20-H32
Molecular weight： 272.476
InChI： InChI=1S/C20H32/c1-14(2)16-9-11-20(5)13-12-19(4)10-8-15(3)6-7-17(19)18(16)20/h8,14,17H,6-7,9-13H2,1-5H3/t17-,19-,20-/m1/s1
InChI key： HYUVPCPBEOBIGN-MISYRCLQSA-N
SMILES： CC(C)C1=C2[C@H]3CCC(=CC[C@]3(C)CC[C@@]2(C)CC1)C
Systematic name  (4)：
  • (3aS)-1-イソプロピル-3aβ,5aα,8-トリメチル-2,3,3a,4,5,5a,6,9,10,10aβ-デカヒドロシクロヘプタ[e]インデン
  • (3aS)-2,3,3a,4,5,5a,6,9,10,10aβ-デカヒドロ-1-イソプロピル-3aβ,5aα,8-トリメチルシクロヘプタ[e]インデン
  • (3aS,5aS,10aS)-3a,5a,8-トリメチル-1-(プロパン-2-イル)-2H,3H,3aH,4H,5H,5aH,6H,9H,10H,10aH-シクロヘプタ[e]インデン
  • (3aS,5aS,10aS)-3a,5a,8-trimethyl-1-(propan-2-yl)-2H,3H,3aH,4H,5H,5aH,6H,9H,10H,10aH-cyclohepta[e]indene
Other name (8)：
  • (3aS)-1-Isopropyl-3aβ,5aα,8-trimethyl-2,3,3a,4,5,5a,6,9,10,10aβ-decahydrocyclohepta[e]indene
  • (3aS)-2,3,3a,4,5,5a,6,9,10,10aβ-Decahydro-1-isopropyl-3aβ,5aα,8-trimethylcyclohepta[e]indene
  • サイアタ-3,12-ジエン
  • Cyatha-3,12-diene
  • (-)-シアタ-3,12-ジエン
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