Chem
J-GLOBAL ID：201907016124303665
Nikkaji number：J3.739.537D
(1R,13S)-1-(2-アセトキシエチル)-11-トシル-11-アザ-14-オキサトリシクロ[11.1.0.04,9]テトラデカン-4(9),5,7-トリエン
(1R,13S)-1-(2-アセトキシエチル)-11-トシル-11-アザ-14-オキサトリシクロ[11.1.0.04,9]テトラデカン-4(9),5,7-トリエン
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： C23H27NO5S
Molecular formula furigana： C23-H27-N-O5-S
Molecular weight： 429.530
InChI：
InChI=1S/C23H27NO5S/c1-17-7-9-21(10-8-17)30(26,27)24-15-20-6-4-3-5-19(20)11-12-23(22(16-24)29-23)13-14-28-18(2)25/h3-10,22H,11-16H2,1-2H3/t22-,23+/m0/s1
InChI key：
DRYKUMMTFHPOKW-XZOQPEGZSA-N
SMILES：
[C@@]12(CCc3ccccc3CN(C[C@@H]1O2)S(=O)(=O)c1ccc(cc1)C)CCOC(=O)C
Systematic name (3)：
- (1R,13S)-1-(2-アセトキシエチル)-11-トシル-11-アザ-14-オキサトリシクロ[11.1.0.04,9]テトラデカン-4(9),5,7-トリエン
- 2-[(4R,6S)-8-(4-メチルベンゼンスルホニル)-5-オキサ-8-アザトリシクロ[8.4.0.04,6]テトラデカ-1(10),11,13-トリエン-4-イル]エチルアセタート
- 2-[(4R,6S)-8-(4-methylbenzenesulfonyl)-5-oxa-8-azatricyclo[8.4.0.04,6]tetradeca-1(10),11,13-trien-4-yl]ethyl acetate
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