Chem
J-GLOBAL ID：200907099247876088   Nikkaji number：J759.541G

7α-Methyl-13α-hydroxy-9,10-dimethoxy-5,6,7,8,13,13aα-hexahydrobenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium

7α-メチル-13α-ヒドロキシ-9,10-ジメトキシ-5,6,7,8,13,13aα-ヘキサヒドロベンゾ[g]-1,3-ベンゾジオキソロ[5,6-a]キノリジニウム
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： C21H24[N+]O5
Molecular formula furigana： C21-H24-N-O5
Molecular weight： 370.424
InChI： InChI=1S/C21H24NO5/c1-22-7-6-12-8-17-18(27-11-26-17)9-14(12)19(22)20(23)13-4-5-16(24-2)21(25-3)15(13)10-22/h4-5,8-9,19-20,23H,6-7,10-11H2,1-3H3/q+1/t19-,20+,22+/m1/s1
InChI key： CMFDMPFPVKCSCF-URVUXULASA-N
SMILES： COc1ccc2[C@H](O)[C@H]3c4cc5OCOc5cc4CC[N@@+]3(C)Cc2c1OC
Systematic name  (3)：
  • 7α-メチル-13α-ヒドロキシ-9,10-ジメトキシ-5,6,7,8,13,13aα-ヘキサヒドロベンゾ[g]-1,3-ベンゾジオキソロ[5,6-a]キノリジニウム
  • (1R,13S,21S)-21-ヒドロキシ-16,17-ジメトキシ-13-メチル-5,7-ジオキサ-13-アザペンタシクロ[11.8.0.02,10.04,8.015,20]ヘンイコサ-2,4(8),9,15,17,19-ヘキサエン-13-イウム
  • (1R,13S,21S)-21-hydroxy-16,17-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaen-13-ium
Other name (1)：
  • 7α-Methyl-13α-hydroxy-9,10-dimethoxy-5,6,7,8,13,13aα-hexahydrobenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium
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