Chem
J-GLOBAL ID：200907078706035663   Nikkaji number：J5.974I

Chelidonine

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： C20H19NO5
Molecular formula furigana： C20-H19-N-O5
Molecular weight： 353.374
InChI： InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1
InChI key： GHKISGDRQRSCII-ZOCIIQOWSA-N
SMILES： CN1Cc2c3OCOc3ccc2[C@H]2[C@@H](O)Cc3cc4OCOc4cc3[C@@H]12
Systematic name  (5)：
  • 11β-ヒドロキシケリドナン
  • ケリドナン-11β-オール
  • 5bα,6,7,12bα,13,14-ヘキサヒドロ-13-メチル[1,3]ベンゾジオキソロ[5,6-c]-1,3-ジオキソロ[4,5-i]フェナントリジン-6β-オール
  • (1S,12S,13R)-24-メチル-5,7,18,20-テトラオキサ-24-アザヘキサシクロ[11.11.0.02,10.04,8.014,22.017,21]テトラコサ-2,4(8),9,14,16,21-ヘキサエン-12-オール
  • (1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14,16,21-hexaen-12-ol
Other name (7)：
  • ケリドニン
  • Chelidonine
  • 11β-Hydroxychelidonane
  • Chelidonane-11β-ol
  • 5bα,6,7,12bα,13,14-Hexahydro-13-methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine-6β-ol
Show all
CAS registry number： 476-32-4
Regulation number (2)：
  • FL9450000
  • EINECS2075041
KEGG COMPOUND： C12242
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