Chem
J-GLOBAL ID：200907020238100551
Nikkaji number：J2.754.934I
(3aR,5E,9E)-1-Isopropyl-3aβ,6,10-trimethyl-1,2,3,3a,4,7,8,11,12,12aα-decahydrocyclopentacycloundecene-1-ylium
(3aR,5E,9E)-1-イソプロピル-3aβ,6,10-トリメチル-1,2,3,3a,4,7,8,11,12,12aα-デカヒドロシクロペンタシクロウンデセン-1-イリウム
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
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
Molecular formula： C19[C+]H33
Molecular formula furigana： C20-H33
Molecular weight： 273.483
InChI：
InChI=1S/C20H33/c1-15(2)18-12-14-20(5)13-11-17(4)8-6-7-16(3)9-10-19(18)20/h7,11,15,19H,6,8-10,12-14H2,1-5H3/q+1/b16-7+,17-11+/t19-,20-/m0/s1
InChI key：
RLMCUBLDIUMVSB-TUGVSPSRSA-N
SMILES：
CC(C)[C+]1CC[C@]2(C)C/C=C(\C)/CC/C=C(\C)/CC[C@@H]12
Systematic name (3)：
- (3aR,5E,9E)-1-イソプロピル-3aβ,6,10-トリメチル-1,2,3,3a,4,7,8,11,12,12aα-デカヒドロシクロペンタシクロウンデセン-1-イリウム
- (3aR,12aS)-3a,6,10-トリメチル-1-(プロパン-2-イル)-1H,2H,3H,3aH,4H,7H,8H,11H,12H,12aH-シクロペンタ[11]アンヌレン-1-イリウム
- (3aR,12aS)-3a,6,10-trimethyl-1-(propan-2-yl)-1H,2H,3H,3aH,4H,7H,8H,11H,12H,12aH-cyclopenta[11]annulen-1-ylium
- (3aR,5E,9E)-1-Isopropyl-3aβ,6,10-trimethyl-1,2,3,3a,4,7,8,11,12,12aα-decahydrocyclopentacycloundecene-1-ylium
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