Chem
J-GLOBAL ID：200907056654878337   Nikkaji number：J1.885.589E

3-epi-Himbacine

3-epi-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+/m0/s1
InChI key： FMPNFDSPHNUFOS-NNJSVKJDSA-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  (3)：
  • (3R)-4α-[(E)-2-[(2R,6S)-1,6-ジメチル-2-ピペリジニル]ビニル]-3aβ,4,4aα,5,6,7,8,8aβ,9,9aβ-デカヒドロ-3α-メチルナフト[2,3-c]フラン-1(3H)-オン
  • (3R,3aR,4R,4aS,8aR,9aS)-4-[(1Z)-2-[(2R,6S)-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,3aR,4R,4aS,8aR,9aS)-4-[(1Z)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl]-3-methyl-dodecahydronaphtho[2,3-c]furan-1-one
Other name (3)：
  • (3R)-4α-[(E)-2-[(2R,6S)-1,6-Dimethyl-2-piperidinyl]vinyl]-3aβ,4,4aα,5,6,7,8,8aβ,9,9aβ-decahydro-3α-methylnaphtho[2,3-c]furan-1(3H)-one
  • 3-epi-ヒンバシン
  • 3-epi-Himbacine
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