Chem
J-GLOBAL ID:200907050094374542   Nikkaji number:J402.781G

(1R,3aR,6R,9E,12aS)-3,3a,6,7,8,11,12,12a-Octahydro-3a,6,10-trimethyl-1-isopropylcyclopentacycloundecene-2,4(1H,5H)-dione

(1R,3aR,6R,9E,12aS)-3,3a,6,7,8,11,12,12a-オクタヒドロ-3a,6,10-トリメチル-1-イソプロピルシクロペンタシクロウンデセン-2,4(1H,5H)-ジオン
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: C20H32O2
Molecular formula furigana: C20-H32-O2
Molecular weight: 304.474
InChI: InChI=1S/C20H32O2/c1-13(2)19-16-10-9-14(3)7-6-8-15(4)11-18(22)20(16,5)12-17(19)21/h7,13,15-16,19H,6,8-12H2,1-5H3/b14-7+/t15-,16+,19-,20-/m1/s1
InChI key: MCBCZGAOIAWLBI-RGFTWUGQSA-N
SMILES: CC(C)[C@@H]1[C@@H]2CC/C(=C/CC[C@@H](C)CC(=O)[C@]2(C)CC1=O)/C
Systematic name  (3):
  • (1R,3aR,6R,9E,12aS)-3,3a,6,7,8,11,12,12a-オクタヒドロ-3a,6,10-トリメチル-1-イソプロピルシクロペンタシクロウンデセン-2,4(1H,5H)-ジオン
  • (1R,3aR,6R,12aS)-3a,6,10-トリメチル-1-(プロパン-2-イル)-1H,2H,3H,3aH,4H,5H,6H,7H,8H,11H,12H,12aH-シクロペンタ[11]アンヌレン-2,4-ジオン
  • (1R,3aR,6R,12aS)-3a,6,10-trimethyl-1-(propan-2-yl)-1H,2H,3H,3aH,4H,5H,6H,7H,8H,11H,12H,12aH-cyclopenta[11]annulene-2,4-dione
Other name (1):
  • (1R,3aR,6R,9E,12aS)-3,3a,6,7,8,11,12,12a-Octahydro-3a,6,10-trimethyl-1-isopropylcyclopentacycloundecene-2,4(1H,5H)-dione
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