Chem
J-GLOBAL ID：200907043412589603
Nikkaji number：J1.425.872H
(7S,8α,12β,13β,14β,16β)-strychnidine-10-one
(7S,8α,12β,13β,14β,16β)-ストリクニジン-10-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： C21H22N2O2
Molecular formula furigana： C21-H22-N2-O2
Molecular weight： 334.419
InChI：
InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m1/s1
InChI key：
QMGVPVSNSZLJIA-KGSDWGHESA-N
SMILES：
O=C1C[C@H]2OCC=C3CN4CC[C@]56[C@H]4C[C@H]3[C@H]2[C@H]5N1c1ccccc61
Systematic name (3)：
- (7S,8α,12β,13β,14β,16β)-ストリクニジン-10-オン
- (1S,11R,18R,20S,21S,22R)-12-オキサ-8,17-ジアザヘプタシクロ[15.5.2.01,18.02,7.08,22.011,21.015,20]テトラコサ-2,4,6,14-テトラエン-9-オン
- (1S,11R,18R,20S,21S,22R)-12-oxa-8,17-diazaheptacyclo[15.5.2.01,18.02,7.08,22.011,21.015,20]tetracosa-2,4,6,14-tetraen-9-one
- (7S,8α,12β,13β,14β,16β)-strychnidine-10-one
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