Chem
J-GLOBAL ID：200907096111406577   Nikkaji number：J2.079.943I

Tricornine

トリコルニン
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： C27H43NO8
Molecular formula furigana： C27-H43-N-O8
Molecular weight： 509.640
InChI： InChI=1S/C27H43NO8/c1-7-28-12-24(13-36-14(2)29)9-8-18(33-4)26-16-10-15-17(32-3)11-25(30,19(16)20(15)34-5)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18?,19-,20+,21-,22+,23+,24+,25-,26+,27?/m1/s1
InChI key： STJQAAPRZLERIZ-UTSQSBSOSA-N
SMILES： CCN1C[C@]2(COC(=O)C)CCC(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  (5)：
  • (16S)-1α,6β,14α,16-テトラメトキシ-4-(アセトキシメチル)-20-エチルアコニタン-7,8-ジオール
  • (1S)-1α,6β,14α,16β-テトラメトキシ-4-(アセトキシメチル)-20-エチルアコニタン-7,8-ジオール
  • 4-(アセトキシメチル)-20-エチル-1α,6β,14α,16β-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-8,9-ジヒドロキシ-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-13-イル]メチル アセタート
  • [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl acetate
Other name (5)：
  • (16S)-1α,6β,14α,16-Tetramethoxy-4-(acetoxymethyl)-20-ethylaconitane-7,8-diol
  • (1S)-1α,6β,14α,16β-Tetramethoxy-4-(acetoxymethyl)-20-ethylaconitane-7,8-diol
  • 4-(Acetoxymethyl)-20-ethyl-1α,6β,14α,16β-tetramethoxyaconitane-7,8-diol
  • Tricornine
  • トリコルニン
CAS registry number： 26871-60-3
KEGG COMPOUND： C08715
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