Chem
J-GLOBAL ID：200907099774801630   Nikkaji number：J16.127F

Gelsemicine

ゲルセミシン
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： C20H26N2O4
Molecular formula furigana： C20-H26-N2-O4
Molecular weight： 358.438
InChI： InChI=1S/C20H26N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,15-16,18,21H,4,8-10H2,1-3H3/t12-,13-,15+,16-,18-,20-/m0/s1
InChI key： RIHQHYIWKHVLRH-QKBHUBKQSA-N
SMILES： CC[C@H]1N[C@H]2C[C@]3([C@@H]4C[C@H]1[C@@H]2CO4)C(=O)N(OC)c1cc(OC)ccc31
Systematic name  (3)：
  • (2′R,3S)-2′-エチル-2′,3′,3′aβ,4′,8′,8′aβ-ヘキサヒドロ-1,6-ジメトキシスピロ[3H-インドール-3,7′(6′H)-[3β,6β]メタノ[1H]オキセピノ[4,3-b]ピロール]-2(1H)-オン
  • (1'S,3S,4'S,6'R,7'S,8'S)-6'-エチル-1,6-ジメトキシ-1,2-ジヒドロ-10'-オキサ-5'-アザスピロ[インドール-3,2'-トリシクロ[5.3.1.04,8]ウンデカン]-2-オン
  • (1'S,3S,4'S,6'R,7'S,8'S)-6'-ethyl-1,6-dimethoxy-1,2-dihydro-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.04,8]undecan]-2-one
Other name (5)：
  • ゲルセミシン
  • 11-メトキシゲルセジン
  • Gelsemicine
  • 11-Methoxygelsedine
  • (2′R,3S)-2′-Ethyl-2′,3′,3′aβ,4′,8′,8′aβ-hexahydro-1,6-dimethoxyspiro[3H-indole-3,7′(6′H)-[3β,6β]methano[1H]oxepino[4,3-b]pyrrol]-2(1H)-one
CAS registry number： 6887-28-1
KEGG COMPOUND： C09203
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