Chem
J-GLOBAL ID:200907073177084090   Nikkaji number:J342.469C

[(17R,19E,21S)-17-Acetyloxy-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl]β-D-glucopyranoside

[(17R,19E,21S)-17-アセチルオキシ-1,2,19,20-テトラデヒドロ-1-デメチルアジュマラン-21-イル]β-D-グルコピラノシド
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: C27H32N2O8
Molecular formula furigana: C27-H32-N2-O8
Molecular weight: 512.558
InChI: InChI=1S/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13-,16-,17-,18+,19-,20+,21-,22+,24+,25-,26-,27+/m0/s1
InChI key: OSJPGOJPRNTSHP-RFIGAGRFSA-N
SMILES: C/C=C/1\[C@@H]2C[C@@H]3N([C@H]4C[C@]5([C@H](OC(=O)C)[C@@H]24)C3=Nc2ccccc52)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • [(17R,19E,21S)-17-アセチルオキシ-1,2,19,20-テトラデヒドロ-1-デメチルアジュマラン-21-イル]β-D-グルコピラノシド
  • (1R,10S,12R,13E,14S,16S,17S,18R)-13-エチリデン-14-{[(2S,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]オキシ}-8,15-ジアザヘキサシクロ[14.2.1.01,9.02,7.010,15.012,17]ノナデカ-2,4,6,8-テトラエン-18-イル アセタート
  • (1R,10S,12R,13E,14S,16S,17S,18R)-13-ethylidene-14-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl acetate
Other name (1):
  • [(17R,19E,21S)-17-Acetyloxy-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl]β-D-glucopyranoside
KEGG COMPOUND: C02074
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