Chem
J-GLOBAL ID：200907059639959877   Nikkaji number：J462.788A

20-Ethyl-1α,6α,16β-trimethoxy-4-(methoxymethyl)aconitane-8,13,14α,15-tetrol 8-oleate 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-8,13,14α,15-テトラオール8-オレアート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： C50H77NO10
Molecular formula furigana： C50-H77-N-O10
Molecular weight： 852.163
InChI： InChI=1S/C50H77NO10/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-37(52)61-50-38-35(31-48(55,45(59-6)43(50)53)44(38)60-46(54)34-26-23-22-24-27-34)49-36(57-4)29-30-47(33-56-3)32-51(8-2)42(49)39(50)40(58-5)41(47)49/h15-16,22-24,26-27,35-36,38-45,53,55H,7-14,17-21,25,28-33H2,1-6H3/b16-15-/t35-,36+,38-,39+,40+,41-,42-,43?,44-,45+,47+,48?,49+,50-/m1/s1
InChI key： HLDSLAVKEAPMMV-BPOVTXOMSA-N
SMILES： CCCCCCCC/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)CC[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-8,13,14α,15-テトラオール8-オレアート14-ベンゾアート
  • (1S,2R,3R,4R,5R,6S,8R,9R,10R,13S,16S,17R,18R)-11-エチル-5,7-ジヒドロキシ-6,16,18-トリメトキシ-13-(メトキシメチル)-8-[(9Z)-オクタデカ-9-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,13S,16S,17R,18R)-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-8-[(9Z)-octadec-9-enoyloxy]-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-8,13,14α,15-tetrol 8-oleate 14-benzoate
Thsaurus map：
Thesaurus Map

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