Chem
J-GLOBAL ID:200907013956770950   Nikkaji number:J1.806.806K

(-)-Himbacine

(-)-ヒンバシン
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-BWFBZZGWSA-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  (5):
  • (3R)-3α-メチル-4β-[(E)-2-[(2S)-1,6β-ジメチル-2α-ピペリジニル]ビニル]-1,3,3aα,4,4aβ,5,6,7,8,8aα,9,9aα-ドデカヒドロナフト[2,3-c]フラン-1-オン
  • (3R)-3α-メチル-4β-[(E)-2-[(2S,6R)-1,6-ジメチル-2-ピペリジニル]エテニル]-1,3,3aα,4,4aβ,5,6,7,8,8aα,9,9aα-ドデカヒドロナフト[2,3-c]フラン-1-オン
  • (3R,3aS,4S,4aR,8aS,9aR)-3-メチル-4-[(E)-2-[(2S,6R)-1,6-ジメチル-2-ピペリジニル]エテニル]-1,3,3a,4,4a,5,6,7,8,8a,9,9a-ドデカヒドロナフト[2,3-c]フラン-1-オン
  • (3R,3aS,4S,4aR,8aS,9aR)-4-[(1Z)-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
  • (3R,3aS,4S,4aR,8aS,9aR)-4-[(1Z)-2-[(2S,6R)-1,6-dimethylpiperidin-2-yl]ethenyl]-3-methyl-dodecahydronaphtho[2,3-c]furan-1-one
Other name (5):
  • (3R)-3α-Methyl-4β-[(E)-2-[(2S)-1,6β-dimethyl-2α-piperidinyl]vinyl]-1,3,3aα,4,4aβ,5,6,7,8,8aα,9,9aα-dodecahydronaphtho[2,3-c]furan-1-one
  • (3R)-3α-Methyl-4β-[(E)-2-[(2S,6R)-1,6-dimethyl-2-piperidinyl]ethenyl]-1,3,3aα,4,4aβ,5,6,7,8,8aα,9,9aα-dodecahydronaphtho[2,3-c]furan-1-one
  • (-)-ヒンバシン
  • (-)-Himbacine
  • (3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-[(2S,6R)-1,6-dimethyl-2-piperidinyl]ethenyl]-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-c]furan-1-one
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