Chem
J-GLOBAL ID：200907014266916362   Nikkaji number：J5.366J

Vomicine

ボミシン
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： C22H24N2O4
Molecular formula furigana： C22-H24-N2-O4
Molecular weight： 380.444
InChI： InChI=1S/C22H24N2O4/c1-23-7-6-22-14-3-2-4-15(25)20(14)24-18(27)10-16-19(21(22)24)13(9-17(22)26)12(11-23)5-8-28-16/h2-5,13,16,19,21,25H,6-11H2,1H3/t13-,16-,19-,21-,22+/m0/s1
InChI key： ZMTYENXGROJCEA-LNKPQSDASA-N
SMILES： CN1CC[C@@]23[C@@H]4[C@@H]5[C@H](CC(=O)N4c4c2cccc4O)OCC=C(C1)[C@@H]5CC3=O
Systematic name  (3)：
  • 4-ヒドロキシ-19-メチル-16,19-セコストリキニジン-10,16-ジオン
  • (1S,10S,11R,12S,22R)-15-ヒドロキシ-4-メチル-9-オキサ-4,13-ジアザヘキサシクロ[9.8.3.210,13.01,12.06,22.014,19]テトラコサ-6,14(19),15,17-テトラエン-20,23-ジオン
  • (1S,10S,11R,12S,22R)-15-hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[9.8.3.210,13.01,12.06,22.014,19]tetracosa-6,14(19),15,17-tetraene-20,23-dione
Other name (5)：
  • ボミシン
  • 12-ヒドロキシ-N-メチルプソイドストリキニン
  • Vomicine
  • 12-Hydroxy-N-methylpseudostrychinine
  • 4-Hydroxy-19-methyl-16,19-secostrychinidine-10,16-dione
CAS registry number： 125-15-5
KEGG COMPOUND： C09255
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