Chem
J-GLOBAL ID：201707007759705383
Nikkaji number：J3.561.214I
(1R,2R,4S,5S)-7α-[(S)-3-Hydroxy-2-phenylpropionyloxy]-9-methyl-9-(3H3)methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane
(1R,2R,4S,5S)-7α-[(S)-3-ヒドロキシ-2-フェニルプロピオニルオキシ]-9-メチル-9-(3H3)メチル-3-オキサ-9-アゾニアトリシクロ[3.3.1.02,4]ノナン
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： C18H21[3H]3[N+]O4
Molecular formula furigana： C18-H24-N-O4
Molecular weight： 324.417
InChI：
InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12?,13-,14-,15+,16-,17+/m1/s1/i1T3/t12?,13-,14-,15+,16-,17+,19?
InChI key：
LZCOQTDXKCNBEE-NNOJKSSASA-N
SMILES：
C([3H])([3H])([3H])[N+]1(C)[C@H]2CC(C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
Systematic name (3)：
- (1R,2R,4S,5S)-7α-[(S)-3-ヒドロキシ-2-フェニルプロピオニルオキシ]-9-メチル-9-(3H3)メチル-3-オキサ-9-アゾニアトリシクロ[3.3.1.02,4]ノナン
- (1R,2R,4S,5S)-7-{[(2S)-3-ヒドロキシ-2-フェニルプロパノイル]オキシ}-9-(3H3)メチル-9-メチル-3-オキサ-9-アザトリシクロ[3.3.1.02,4]ノナン-9-イウム
- (1R,2R,4S,5S)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-(3H3)methyl-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium
- (1R,2R,4S,5S)-7α-[(S)-3-Hydroxy-2-phenylpropionyloxy]-9-methyl-9-(3H3)methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane
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