Chem
J-GLOBAL ID：200907077553102564   Nikkaji number：J11.203H

Isocorynoxeine

イソコリノキセイン
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： C22H26N2O4
Molecular formula furigana： C22-H26-N2-O4
Molecular weight： 382.460
InChI： InChI=1S/C22H26N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h4-8,13-15,19H,1,9-12H2,2-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-/m0/s1
InChI key： MUVGVMUWMAGNSY-VKCGGMIFSA-N
SMILES： CO/C=C(\[C@H]1C[C@@H]2N(CC[C@]32C(=O)Nc2ccccc32)C[C@@H]1C=C)/C(=O)OC
Systematic name  (3)：
  • (16E,20α)-16,17,18,19-テトラデヒドロ-17-メトキシ-2-オキソコリノキサン-16-カルボン酸メチル
  • メチル (2E)-2-[(3S,6'R,7'S,8'aS)-6'-エテニル-2-オキソ-1,2,3',5',6',7',8',8'a-オクタヒドロ-2'H-スピロ[インドール-3,1'-インドリジン]-7'-イル]-3-メトキシプロパ-2-エノアート
  • methyl (2E)-2-[(3S,6'R,7'S,8'aS)-6'-ethenyl-2-oxo-1,2,3',5',6',7',8',8'a-octahydro-2'H-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate
Other name (3)：
  • イソコリノキセイン
  • Isocorynoxeine
  • (16E,20α)-16,17,18,19-Tetradehydro-17-methoxy-2-oxocorynoxan-16-carboxylic acid methyl ester
CAS registry number： 51014-29-0
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