Chem
J-GLOBAL ID：200907054180761937   Nikkaji number：J867.975D

N-Glucosylrubropunctamine

N-グルコシル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： C27H33NO9
Molecular formula furigana： C27-H33-N-O9
Molecular weight： 515.558
InChI： InChI=1S/C27H33NO9/c1-4-6-7-9-18(30)20-17-11-14-10-15(8-5-2)28(12-16(14)24(34)27(17,3)37-26(20)35)25-23(33)22(32)21(31)19(13-29)36-25/h5,8,10-12,19,21-23,25,29,31-33H,4,6-7,9,13H2,1-3H3/b8-5+/t19-,21-,22+,23-,25?,27-/m1/s1
InChI key： IIBUEQHHHKZBET-COLOBQDGSA-N
SMILES： CCCCCC(=O)C1=C2C=c3cc(/C=C/C)n(cc3C(=O)[C@]2(C)OC1=O)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (9aR)-3-(1-オキソヘキシル)-6-[(E)-1-プロペニル]-7-(D-グルコピラノシル)-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]-7-[(3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-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]-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2H,7H,9H,9aH-furo[3,2-g]isoquinoline-2,9-dione
Other name (3)：
  • N-グルコシルルブロプンクタミン
  • N-Glucosylrubropunctamine
  • (9aR)-3-(1-Oxohexyl)-6-[(E)-1-propenyl]-7-(D-glucopyranosyl)-9a-methylfuro[3,2-g]isoquinoline-2,9(7H,9aH)-dione
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