Chem
J-GLOBAL ID：200907046855424487   Nikkaji number：J583.639E

Rubropunctamine

ルブロプンクタミン
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： C21H23NO4
Molecular formula furigana： C21-H23-N-O4
Molecular weight： 353.418
InChI： InChI=1S/C21H23NO4/c1-4-6-7-9-17(23)18-16-11-13-10-14(8-5-2)22-12-15(13)19(24)21(16,3)26-20(18)25/h5,8,10-12,22H,4,6-7,9H2,1-3H3/b8-5+/t21-/m1/s1
InChI key： OVOAWDOEFJNCGI-WKOQKXSESA-N
SMILES： CCCCCC(=O)C1=C2C=c3cc([nH]cc3C(=O)[C@]2(C)OC1=O)/C=C/C
Systematic name  (3)：
  • (9aR)-3-(1-オキソヘキシル)-6-[(E)-1-プロペニル]-9a-メチルフロ[3,2-g]イソキノリン-2,9(7H,9aH)-ジオン
  • (9aR)-3-ヘキサノイル-9a-メチル-6-[(1E)-プロパ-1-エン-1-イル]-2H,7H,9H,9aH-フロ[3,2-g]イソキノリン-2,9-ジオン
  • (9aR)-3-hexanoyl-9a-methyl-6-[(1E)-prop-1-en-1-yl]-2H,7H,9H,9aH-furo[3,2-g]isoquinoline-2,9-dione
Other name (3)：
  • ルブロプンクタミン
  • Rubropunctamine
  • (9aR)-3-(1-Oxohexyl)-6-[(E)-1-propenyl]-9a-methylfuro[3,2-g]isoquinoline-2,9(7H,9aH)-dione
CAS registry number： 514-66-9
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