Chem
J-GLOBAL ID：201507004810887285   Nikkaji number：J3.446.159G

3-Demethyl-14β-hydroxyisotylocrebrine N-oxide

3-デメチル-14β-ヒドロキシイソチロクレブリンN-オキシド
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： C23H25[N+]O5[O-]
Molecular formula furigana： C23-H25-N-O6
Molecular weight： 411.454
InChI： InChI=1S/C23H25NO6/c1-28-18-9-13-14(10-19(18)29-2)21-12(6-7-17(25)23(21)30-3)20-15(13)11-24(27)8-4-5-16(24)22(20)26/h6-7,9-10,16,22,25-26H,4-5,8,11H2,1-3H3/t16-,22-,24?/m0/s1
InChI key： YVKYBZICLJKMQQ-SELUSXSVSA-N
SMILES： COc1cc2c3C[N+]4([O-])CCC[C@H]4[C@H](O)c3c3ccc(O)c(OC)c3c2cc1OC
Systematic name  (3)：
  • 3,14α-ジヒドロキシ-4,6,7-トリメトキシ-9,11,12,13,13aα,14-ヘキサヒドロジベンゾ[f,h]ピロロ[1,2-b]イソキノリン10-オキシド
  • (20S,21R)-5,21-ジヒドロキシ-6,10,11-トリメトキシ-16-アザペンタシクロ[12.7.0.02,7.08,13.016,20]ヘンイコサ-1(14),2,4,6,8,10,12-ヘプタエン-16-イウム-16-オラート
  • (20S,21R)-5,21-dihydroxy-6,10,11-trimethoxy-16-azapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(14),2,4,6,8,10,12-heptaen-16-ium-16-olate
Other name (3)：
  • 3,14α-Dihydroxy-4,6,7-trimethoxy-9,11,12,13,13aα,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline 10-oxide
  • 3-デメチル-14β-ヒドロキシイソチロクレブリンN-オキシド
  • 3-Demethyl-14β-hydroxyisotylocrebrine N-oxide
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