Chem
J-GLOBAL ID：200907065720316530   Nikkaji number：J490.201G

Delcorine

デルコリン
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： C26H41NO7
Molecular formula furigana： C26-H41-N-O7
Molecular weight： 479.614
InChI： InChI=1S/C26H41NO7/c1-6-27-11-23(12-29-2)8-7-17(31-4)25-15-9-14-16(30-3)10-24(18(15)19(14)32-5)26(22(25)27,34-13-33-24)21(28)20(23)25/h14-22,28H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+,22+,23+,24-,25+,26?/m1/s1
InChI key： XTLROSDJDZHIIK-QRTJCLAFSA-N
SMILES： CCN1C[C@]2(COC)CC[C@H](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](O)[C@H]23)[C@@H]14
Systematic name  (4)：
  • (16S)-20-エチル-1α,14α,16-トリメトキシ-4-(メトキシメチル)-7,8-(メチレンジオキシ)アコニタン-6β-オール
  • 1α,14α,16β-トリメトキシ-4-(メトキシメチル)-7,8-(メチレンビスオキシ)-20-エチルアコニタン-6β-オール
  • (1S,2R,3R,4S,5R,6S,8R,12S,13S,16S,19S,20R,21S)-14-エチル-4,6,19-トリメトキシ-16-(メトキシメチル)-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-21-オール
  • (1S,2R,3R,4S,5R,6S,8R,12S,13S,16S,19S,20R,21S)-14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-ol
Other name (4)：
  • デルコリン
  • Delcorine
  • (16S)-20-Ethyl-1α,14α,16-trimethoxy-4-(methoxymethyl)-7,8-(methylenedioxy)aconitan-6β-ol
  • 1α,14α,16β-Trimethoxy-4-(methoxymethyl)-7,8-(methylenebisoxy)-20-ethylaconitane-6β-ol
KEGG COMPOUND： C08675
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