Chem
J-GLOBAL ID：200907028871540251   Nikkaji number：J462.774A

20-Ethyl-1α,6α,16β-trimethoxy-4-(methoxymethyl)aconitane-3α,8,13,14α,15-pentol 8-linolate 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-リノラート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： C50H75NO11
Molecular formula furigana： C50-H75-N-O11
Molecular weight： 866.146
InChI： InChI=1S/C50H75NO11/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-37(53)62-50-38-34(30-48(56,45(60-6)43(50)54)44(38)61-46(55)33-26-23-22-24-27-33)49-36(58-4)29-35(52)47(32-57-3)31-51(8-2)42(49)39(50)40(59-5)41(47)49/h12-13,15-16,22-24,26-27,34-36,38-45,52,54,56H,7-11,14,17-21,25,28-32H2,1-6H3/b13-12-,16-15-/t34-,35?,36+,38-,39+,40+,41-,42-,43?,44-,45+,47+,48?,49+,50-/m1/s1
InChI key： BJOATYSXWDPNJK-IGYXNQNUSA-N
SMILES： CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@]12[C@H]3[C@H](OC)[C@H]4[C@@]5([C@@H]6C[C@](O)([C@H](OC(=O)c7ccccc7)[C@H]16)[C@@H](OC)C2O)[C@@H]3N(CC)C[C@]4(COC)C(O)C[C@@H]5OC
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-リノラート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-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)-8-[(9Z,12Z)-オクタデカ-9,12-ジエノイルオキシ]-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-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-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-8-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-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-linolate 14-benzoate
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM