Chem
J-GLOBAL ID：200907092962000098   Nikkaji number：J556.935D

(3aR,4R,3aβ,6aβ)-Hexahydro-4-[(R)-5-methoxyheptyl]pentalen-2(1H)-one

(3aR,4R,6aR)-4-[(5R)-5-メトキシヘプチル]-オクタヒドロペンタレン-2-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： C16H28O2
Molecular formula furigana： C16-H28-O2
Molecular weight： 252.398
InChI： InChI=1S/C16H28O2/c1-3-15(18-2)7-5-4-6-12-8-9-13-10-14(17)11-16(12)13/h12-13,15-16H,3-11H2,1-2H3/t12-,13-,15-,16-/m1/s1
InChI key： KDULJHFMZBRAHO-RRCSTGOVSA-N
SMILES： CC[C@H](CCCC[C@@H]1CC[C@@H]2CC(=O)C[C@H]12)OC
Systematic name  (3)：
  • (3aR,4R,3aβ,6aβ)-ヘキサヒドロ-4-[(R)-5-メトキシヘプチル]ペンタレン-2(1H)-オン
  • (3aR,4R,6aR)-4-[(5R)-5-メトキシヘプチル]-オクタヒドロペンタレン-2-オン
  • (3aR,4R,6aR)-4-[(5R)-5-methoxyheptyl]-octahydropentalen-2-one
Other name (1)：
  • (3aR,4R,3aβ,6aβ)-Hexahydro-4-[(R)-5-methoxyheptyl]pentalen-2(1H)-one
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