Chem
J-GLOBAL ID：200907047971792422   Nikkaji number：J462.773C

Neoline

ネオリン
Substance type：
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
Molecular formula： C24H39NO6
Molecular formula furigana： C24-H39-N-O6
Molecular weight： 437.577
InChI： InChI=1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17?,18+,19+,20-,21-,22+,23-,24+/m1/s1
InChI key： XRARAKHBJHWUHW-MBVMIALBSA-N
SMILES： CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14
Systematic name  (3)：
  • 20-エチル-6α,16β-ジメトキシ-4-(メトキシメチル)アコニタン-1α,8,14α-トリオール
  • (1S,2R,3R,4S,5S,6S,8R,9R,10R,13S,16S,17R,18R)-11-エチル-6,18-ジメトキシ-13-(メトキシメチル)-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-4,8,16-トリオール
  • (1S,2R,3R,4S,5S,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
Other name (3)：
  • ネオリン
  • Neoline
  • 20-Ethyl-6α,16β-dimethoxy-4-(methoxymethyl)aconitane-1α,8,14α-triol
Thsaurus map：
Thesaurus Map

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