Chem
J-GLOBAL ID:200907053730438695   Nikkaji number:J15.238B

(+)-Adlumine

(+)-アドルミン
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: C21H21NO6
Molecular formula furigana: C21-H21-N-O6
Molecular weight: 383.400
InChI: InChI=1S/C21H21NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)18(22)19-12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19-/m0/s1
InChI key: SZDGAZFTAUFFQH-OALUTQOASA-N
SMILES: COc1cc2CCN(C)[C@H]([C@H]3OC(=O)c4c3ccc3OCOc43)c2cc1OC
Systematic name  (4):
  • (6S)-6-[(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]フロ[3,4-e]-1,3-ベンゾジオキソール-8(6H)-オン
  • [6S,(+)]-6-[(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]フロ[3,4-e]-1,3-ベンゾジオキソール-8(6H)-オン
  • (10S)-10-[(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]-3,5,11-トリオキサトリシクロ[7.3.0.02,6]ドデカ-1(9),2(6),7-トリエン-12-オン
  • (10S)-10-[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-3,5,11-trioxatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-trien-12-one
Other name (3):
  • (+)-アドルミン
  • (+)-Adlumine
  • [6S,(+)]-6-[(1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinolin-1-yl]furo[3,4-e]-1,3-benzodioxol-8(6H)-one
CAS registry number: 524-46-9
KEGG COMPOUND: C09324
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