Chem
J-GLOBAL ID：200907066940919267   Nikkaji number：J7.977D

Thalicarpine

タリカルピン
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： C41H48N2O8
Molecular formula furigana： C41-H48-N2-O8
Molecular weight： 696.841
InChI： InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1
InChI key： ZCTJIMXXSXQXRI-KYJUHHDHSA-N
SMILES： COc1cc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)c(Oc2cc3C[C@@H]4N(C)CCc5cc(OC)c(OC)c(c3cc2OC)c45)cc1OC
Systematic name  (3)：
  • (6aS)-9-[4,5-ジメトキシ-2-[[(1S)-1,2,3,4-テトラヒドロ-6,7-ジメトキシ-2-メチルイソキノリン-1-イル]メチル]フェノキシ]-5,6,6a,7-テトラヒドロ-1,2,10-トリメトキシ-6-メチル-4H-ジベンゾ[de,g]キノリン
  • (9S)-5-(2-{[(1S)-6,7-ジメトキシ-2-メチル-1,2,3,4-テトラヒドロイソキノリン-1-イル]メチル}-4,5-ジメトキシフェノキシ)-4,15,16-トリメトキシ-10-メチル-10-アザテトラシクロ[7.7.1.02,7.013,17]ヘプタデカ-1(17),2(7),3,5,13,15-ヘキサエン
  • (9S)-5-(2-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-4,5-dimethoxyphenoxy)-4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene
Other name (5)：
  • タリカルピン
  • Thalicarpine
  • (6aS)-9-[4,5-Dimethoxy-2-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolin-1-yl]methyl]phenoxy]-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo[de,g]quinoline
  • タリブラスチン
  • Thaliblastine
CAS registry number： 5373-42-2
KEGG COMPOUND： C09655
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