Chem
J-GLOBAL ID：200907055748176763   Nikkaji number：J5.975G

Homochelidonine

ホモケリドニン
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： C21H23NO5
Molecular formula furigana： C21-H23-N-O5
Molecular weight： 369.417
InChI： InChI=1S/C21H23NO5/c1-22-9-14-12(4-5-16(24-2)21(14)25-3)19-15(23)6-11-7-17-18(27-10-26-17)8-13(11)20(19)22/h4-5,7-8,15,19-20,23H,6,9-10H2,1-3H3/t15-,19-,20+/m0/s1
InChI key： MADYLZJCRKUBIK-RYGJVYDSSA-N
SMILES： COc1ccc2[C@H]3[C@@H](O)Cc4cc5OCOc5cc4[C@H]3N(C)Cc2c1OC
Systematic name  (3)：
  • (4bR)-4b,5,6,11bα,12,13-ヘキサヒドロ-1,2-ジメトキシ-12-メチル[1,3]ベンゾジオキソロ[5,6-c]フェナントリジン-5β-オール
  • (1S,12S,13R)-17,18-ジメトキシ-21-メチル-5,7-ジオキサ-21-アザペンタシクロ[11.8.0.02,10.04,8.014,19]ヘンイコサ-2,4(8),9,14,16,18-ヘキサエン-12-オール
  • (1S,12S,13R)-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-2,4(8),9,14,16,18-hexaen-12-ol
Other name (3)：
  • ホモケリドニン
  • Homochelidonine
  • (4bR)-4b,5,6,11bα,12,13-Hexahydro-1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-5β-ol
CAS registry number： 476-33-5
Regulation number (1)：
  • EINECS2075057
KEGG COMPOUND： C12257
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