Chem
J-GLOBAL ID：200907019606022819   Nikkaji number：J710.105H

Kalbretorine

カルブレトリン
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： C16H9NO4
Molecular formula furigana： C16-H9-N-O4
Molecular weight： 279.251
InChI： InChI=1S/C16H9NO4/c18-14-12-10(6-11-15(14)21-7-20-11)9-3-1-2-8-4-5-17(13(8)9)16(12)19/h1-6,18H,7H2
InChI key： REOYKJPVLPBVGR-UHFFFAOYSA-N
SMILES： Oc1c2OCOc2cc2c3cccc4ccn(c34)c(=O)c12
Systematic name  (3)：
  • 8-ヒドロキシ-1,2,3,4,5,12,15,16-オクタデヒドロ-9,10-(メチレンジオキシ)ガランタン-7-オン
  • 9-ヒドロキシ-5,7-ジオキサ-12-アザペンタシクロ[10.6.1.02,10.04,8.015,19]ノナデカ-1(18),2,4(8),9,13,15(19),16-ヘプタエン-11-オン
  • 9-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,13,15(19),16-heptaen-11-one
Other name (3)：
  • カルブレトリン
  • Kalbretorine
  • 8-Hydroxy-1,2,3,4,5,12,15,16-octadehydro-9,10-(methylenedioxy)galanthan-7-one
CAS registry number： 98899-99-1
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