Chem
J-GLOBAL ID：200907029307083130   Nikkaji number：J583.520H

Elatine

エラチン
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： C38H50N2O10
Molecular formula furigana： C38-H50-N2-O10
Molecular weight： 694.822
InChI： InChI=1S/C38H50N2O10/c1-7-39-17-35(18-48-33(43)21-10-8-9-11-24(21)40-27(41)14-20(2)32(40)42)13-12-26(45-4)37-23-15-22-25(44-3)16-36(28(23)29(22)46-5)38(34(37)39,50-19-49-36)31(47-6)30(35)37/h8-11,20,22-23,25-26,28-31,34H,7,12-19H2,1-6H3/t20?,22-,23-,25+,26?,28-,29+,30-,31+,34+,35+,36-,37+,38?/m1/s1
InChI key： KOWWOODYPWDWOJ-DMRDLKKRSA-N
SMILES： CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CC(C)C3=O)CCC(OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@@]5(C[C@@H]6OC)OCO[C@@]5([C@@H](OC)[C@H]23)[C@@H]14
Systematic name  (3)：
  • 20-エチル-1α,6β,14α,16β-テトラメトキシ-7,8-(メチレンジオキシ)-4-[[[2-(3-メチル-2,5-ジオキソ-1-ピロリジニル)ベンゾイル]オキシ]メチル]アコニタン
  • [(1S,2R,3R,4S,5R,6S,8R,12S,13S,16S,19S,20R,21S)-14-エチル-4,6,19,21-テトラメトキシ-9,11-ジオキサ-14-アザヘプタシクロ[10.7.2.12,5.01,13.03,8.08,12.016,20]ドコサン-16-イル]メチル 2-(3-メチル-2,5-ジオキソピロリジン-1-イル)ベンゾアート
  • [(1S,2R,3R,4S,5R,6S,8R,12S,13S,16S,19S,20R,21S)-14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-16-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
Other name (3)：
  • エラチン
  • Elatine
  • 20-Ethyl-1α,6β,14α,16β-tetramethoxy-7,8-(methylenedioxy)-4-[[[2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]aconitane
CAS registry number： 26000-16-8
KEGG COMPOUND： C08681
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