Chem
J-GLOBAL ID：200907040534779471   Nikkaji number：J2.754.936E

(3aS)-1,4β,9aβ-Trimethyl-7-isopropyl-1,2,3,3aα,4,5,6,8,9,9a,10,10aα-dodecahydrodicyclopenta[a,d]cyclooctene-1-ylium

(1R,3S,7S,8S)-1,4,8-トリメチル-12-(プロパン-2-イル)トリシクロ[9.3.0.03,7]テトラデカ-11-エン-4-イリウム
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： C19[C+]H33
Molecular formula furigana： C20-H33
Molecular weight： 273.483
InChI： InChI=1S/C20H33/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h13-14,17-18H,6-12H2,1-5H3/q+1/t14-,17-,18-,20+/m0/s1
InChI key： YORHUKZRIMVMSL-PRIDNEQBSA-N
SMILES： CC(C)C1=C2CC[C@H](C)[C@@H]3CC[C+](C)[C@@H]3C[C@@]2(C)CC1
Systematic name  (3)：
  • (3aS)-1,4β,9aβ-トリメチル-7-イソプロピル-1,2,3,3aα,4,5,6,8,9,9a,10,10aα-ドデカヒドロジシクロペンタ[a,d]シクロオクテン-1-イリウム
  • (1R,3S,7S,8S)-1,4,8-トリメチル-12-(プロパン-2-イル)トリシクロ[9.3.0.03,7]テトラデカ-11-エン-4-イリウム
  • (1R,3S,7S,8S)-1,4,8-trimethyl-12-(propan-2-yl)tricyclo[9.3.0.03,7]tetradec-11-en-4-ylium
Other name (1)：
  • (3aS)-1,4β,9aβ-Trimethyl-7-isopropyl-1,2,3,3aα,4,5,6,8,9,9a,10,10aα-dodecahydrodicyclopenta[a,d]cyclooctene-1-ylium
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