Chem
J-GLOBAL ID：200907003918088368
Nikkaji number：J2.437.219G
(16S)-20-Ethyl-1α,6β,14α,16β-tetramethoxyaconitane-4,7,8-triol
(16S)-20-エチル-1α,6β,14α,16β-テトラメトキシアコニタン-4,7,8-トリオール
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： C24H39NO7
Molecular formula furigana： C24-H39-N-O7
Molecular weight： 453.576
InChI：
InChI=1S/C24H39NO7/c1-6-25-11-21(26)8-7-15(30-3)23-13-9-12-14(29-2)10-22(27,16(13)17(12)31-4)24(28,20(23)25)19(32-5)18(21)23/h12-20,26-28H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18-,19+,20+,21-,22-,23+,24?/m1/s1
InChI key：
NGKYTCOSYAGQDD-PYDRRVSMSA-N
SMILES：
CCN1C[C@]2(O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14
Systematic name (3)：
- (16S)-20-エチル-1α,6β,14α,16β-テトラメトキシアコニタン-4,7,8-トリオール
- (1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-エチル-4,6,16,18-テトラメトキシ-11-アザヘキサシクロ[7.7.2.12,5.01,10.03,8.013,17]ノナデカン-8,9,13-トリオール
- (1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,13-triol
- (16S)-20-Ethyl-1α,6β,14α,16β-tetramethoxyaconitane-4,7,8-triol
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