Chem
J-GLOBAL ID：200907026529679547
Nikkaji number：J1.806.808G
(3R)-3α-Methyl-4β-[(E)-2-[(2R)-1,6α-dimethyl-2β-piperidinyl]vinyl]-1,3,3aα,4,4aβ,5,6,7,8,8aα,9,9aα-dodecahydronaphtho[2,3-c]furan-1-one
(3R,3aS,4S,4aR,8aS,9aR)-4-[(1E)-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
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
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
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-WVWGGHRYSA-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)-3α-メチル-4β-[(E)-2-[(2R)-1,6α-ジメチル-2β-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,3aS,4S,4aR,8aS,9aR)-4-[(1E)-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,3aS,4S,4aR,8aS,9aR)-4-[(1E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl]-3-methyl-dodecahydronaphtho[2,3-c]furan-1-one
- (3R)-3α-Methyl-4β-[(E)-2-[(2R)-1,6α-dimethyl-2β-piperidinyl]vinyl]-1,3,3aα,4,4aβ,5,6,7,8,8aα,9,9aα-dodecahydronaphtho[2,3-c]furan-1-one
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