Chem
J-GLOBAL ID:200907082760871482   Nikkaji number:J1.806.807I

(3S)-3β-Methyl-4α-[(E)-2-[(2S)-1,6β-dimethyl-2α-piperidinyl]vinyl]-1,3,3aβ,4,4aα,5,6,7,8,8aβ,9,9aβ-dodecahydronaphtho[2,3-c]furan-1-one

(3S,3aR,4R,4aS,8aR,9aS)-4-[(1E)-2-[(2S,6R)-1,6-ジメチルピペリジン-2-イル]エテニル]-3-メチル-ドデカヒドロナフト[2,3-c]フラン-1-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: C22H35NO2
Molecular formula furigana: C22-H35-N-O2
Molecular weight: 345.527
InChI: InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15+,16-,17+,18+,19-,20+,21-/m1/s1
InChI key: FMPNFDSPHNUFOS-YKCJDCANSA-N
SMILES: C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@@H]12
Systematic name  (4):
  • (3S)-3β-メチル-4α-[(E)-2-[(2S)-1,6β-ジメチル-2α-ピペリジニル]ビニル]-1,3,3aβ,4,4aα,5,6,7,8,8aβ,9,9aβ-ドデカヒドロナフト[2,3-c]フラン-1-オン
  • (3S)-3β-メチル-4α-[(E)-2-[(2S,6R)-1,6-ジメチル-2-ピペリジニル]エテニル]-1,3,3aβ,4,4aα,5,6,7,8,8aβ,9,9aβ-ドデカヒドロナフト[2,3-c]フラン-1-オン
  • (3S,3aR,4R,4aS,8aR,9aS)-4-[(1E)-2-[(2S,6R)-1,6-ジメチルピペリジン-2-イル]エテニル]-3-メチル-ドデカヒドロナフト[2,3-c]フラン-1-オン
  • (3S,3aR,4R,4aS,8aR,9aS)-4-[(1E)-2-[(2S,6R)-1,6-dimethylpiperidin-2-yl]ethenyl]-3-methyl-dodecahydronaphtho[2,3-c]furan-1-one
Other name (2):
  • (3S)-3β-Methyl-4α-[(E)-2-[(2S)-1,6β-dimethyl-2α-piperidinyl]vinyl]-1,3,3aβ,4,4aα,5,6,7,8,8aβ,9,9aβ-dodecahydronaphtho[2,3-c]furan-1-one
  • (3S)-3β-Methyl-4α-[(E)-2-[(2S,6R)-1,6-dimethyl-2-piperidinyl]ethenyl]-1,3,3aβ,4,4aα,5,6,7,8,8aβ,9,9aβ-dodecahydronaphtho[2,3-c]furan-1-one
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