Chem
J-GLOBAL ID：200907096313099510   Nikkaji number：J17.262F

Lycoctonine

リコクトニン
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： C25H41NO7
Molecular formula furigana： C25-H41-N-O7
Molecular weight： 467.603
InChI： InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1
InChI key： YOTUXHIWBVZAJQ-QNITWFEASA-N
SMILES： CCN1C[C@]2(CO)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-4-(ヒドロキシメチル)-1α,6β,14α,16-テトラメトキシアコニタン-7,8-ジオール
  • (1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-エチル-13-(ヒドロキシメチル)-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-ジオール
  • (1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-13-(hydroxymethyl)-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9-diol
Other name (3)：
  • リコクトニン
  • Lycoctonine
  • (16S)-20-Ethyl-4-(hydroxymethyl)-1α,6β,14α,16-tetramethoxyaconitane-7,8-diol
CAS registry number： 26000-17-9
KEGG COMPOUND： C08697
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