Chem
J-GLOBAL ID：200907010215388374   Nikkaji number：J146.159A

Hirsutine

ヒルスチン
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： C22H28N2O3
Molecular formula furigana： C22-H28-N2-O3
Molecular weight： 368.477
InChI： InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17-,20+/m0/s1
InChI key： NMLUOJBSAYAYEM-AZQGJTAVSA-N
SMILES： CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=C\OC)/C(=O)OC
Systematic name  (4)：
  • (E)-2-[(3β-エチル-1,2,3,4,6,7,12,12bα-オクタヒドロインドロ[2,3-a]キノリジン)-2α-イル]-3-メトキシアクリル酸メチル
  • (3β,16E)-16,17-ジデヒドロ-17-メトキシコリナン-16-カルボン酸メチル
  • メチル (2E)-2-[(2S,3R,12bR)-3-エチル-1H,2H,3H,4H,6H,7H,12H,12bH-インドロ[2,3-a]キノリジン-2-イル]-3-メトキシプロパ-2-エノアート
  • methyl (2E)-2-[(2S,3R,12bR)-3-ethyl-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Other name (3)：
  • ヒルスチン
  • Hirsutine
  • (3β,16E)-16,17-Didehydro-17-methoxycorynan-16-carboxylic acid methyl ester
CAS registry number： 7729-23-9
KEGG COMPOUND： C16972
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