Chem
J-GLOBAL ID：200907035882370222   Nikkaji number：J12.440K

Domesticine

ドメスチシン
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： C19H19NO4
Molecular formula furigana： C19-H19-N-O4
Molecular weight： 325.364
InChI： InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1
InChI key： ZMNSHBTYBQNBPV-ZDUSSCGKSA-N
SMILES： COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4c(c1O)c23
Systematic name  (3)：
  • (6aS)-5,6,6a,7-テトラヒドロ-2-メトキシ-6-メチル-4H-ベンゾ[de][1,3]ベンゾジオキソロ[5,6-g]キノリン-1-オール
  • (12S)-18-メトキシ-13-メチル-5,7-ジオキサ-13-アザペンタシクロ[10.7.1.02,10.04,8.016,20]イコサ-1(19),2,4(8),9,16(20),17-ヘキサエン-19-オール
  • (12S)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),9,16(20),17-hexaen-19-ol
Other name (3)：
  • ドメスチシン
  • Domesticine
  • (6aS)-5,6,6a,7-Tetrahydro-2-methoxy-6-methyl-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinolin-1-ol
CAS registry number： 476-71-1
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