Chem
J-GLOBAL ID：200907074956830870   Nikkaji number：J462.776H

20-Ethyl-1α,6α,16β-trimethoxy-4-(methoxymethyl)aconitane-3α,8,13,14α,15-pentol 8-palmitate 14-benzoate

20-エチル-1α,6α,16β-トリメトキシ-4-(メトキシメチル)アコニタン-3α,8,13,14α,15-ペンタオール8-パルミタート14-ベンゾアート
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： C48H75NO11
Molecular formula furigana： C48-H75-N-O11
Molecular weight： 842.124
InChI： InChI=1S/C48H75NO11/c1-7-9-10-11-12-13-14-15-16-17-18-19-23-26-35(51)60-48-36-32(28-46(54,43(58-6)41(48)52)42(36)59-44(53)31-24-21-20-22-25-31)47-34(56-4)27-33(50)45(30-55-3)29-49(8-2)40(47)37(48)38(57-5)39(45)47/h20-22,24-25,32-34,36-43,50,52,54H,7-19,23,26-30H2,1-6H3/t32-,33-,34+,36-,37+,38+,39-,40-,41?,42-,43+,45+,46?,47+,48-/m1/s1
InChI key： XJYAAMGGNSBAHN-NGCCXOPOSA-N
SMILES： CCCCCCCCCCCCCCCC(=O)O[C@@]12[C@@H]3[C@@H](C[C@](O)([C@@H]3OC(=O)c3ccccc3)[C@@H](OC)C1O)[C@@]13[C@H]4[C@@H]2[C@H](OC)[C@@H]1[C@](COC)(CN4CC)[C@H](O)C[C@@H]3OC
Systematic name  (3)：
  • 20-エチル-1α,6α,16β-トリメトキシ-4-(メトキシメチル)アコニタン-3α,8,13,14α,15-ペンタオール8-パルミタート14-ベンゾアート
  • (1S,2R,3R,4R,5R,6S,8R,9R,10R,13R,14R,16S,17S,18R)-11-エチル-8-(ヘキサデカノイルオキシ)-5,7,14-トリヒドロキシ-6,16,18-トリメトキシ-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-イル ベンゾアート
  • (1S,2R,3R,4R,5R,6S,8R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-8-(hexadecanoyloxy)-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl benzoate
Other name (1)：
  • 20-Ethyl-1α,6α,16β-trimethoxy-4-(methoxymethyl)aconitane-3α,8,13,14α,15-pentol 8-palmitate 14-benzoate
Thsaurus map：
Thesaurus Map

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