Chem
J-GLOBAL ID：200907042910772141   Nikkaji number：J1.325.847C

Nudifloside C

ヌジフロシドC
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： C26H38O12
Molecular formula furigana： C26-H38-O12
Molecular weight： 542.578
InChI： InChI=1S/C26H38O12/c1-4-13-14-6-19(29)34-9-15-11(2)5-17(28)20(15)12(3)8-35-24(33)16(14)10-36-25(13)38-26-23(32)22(31)21(30)18(7-27)37-26/h4,10-12,14-15,17-18,20-23,25-28,30-32H,5-9H2,1-3H3/b13-4+/t11-,12-,14-,15+,17-,18+,20+,21+,22-,23+,25-,26-/m0/s1
InChI key： AJSGWOXJRVVHLI-LUJWXUTCSA-N
SMILES： C/C=C\1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2[C@H]1CC(=O)OC[C@@H]1[C@@H](C)C[C@H](O)[C@@H]1[C@@H](C)COC2=O
Systematic name  (3)：
  • (1S,6R,9S,10R,11R)-7β,11-ジメチル-9α-ヒドロキシ-18β-(β-D-グルコピラノシルオキシ)-19-[(E)-エチリデン]-4,13,17-トリオキサトリシクロ[13.4.0.06,10]ノナデカ-15-エン-3,14-ジオン
  • (5R,6R,7S,9S,10R,15S,16E,17S)-16-エチリデン-7-ヒドロキシ-5,9-ジメチル-17-{[(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}-3,12,18-トリオキサトリシクロ[13.4.0.06,10]ノナデカ-1(19)-エン-2,13-ジオン
  • (5R,6R,7S,9S,10R,15S,16E,17S)-16-ethylidene-7-hydroxy-5,9-dimethyl-17-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,12,18-trioxatricyclo[13.4.0.06,10]nonadec-1(19)-ene-2,13-dione
Other name (3)：
  • (1S,6R,9S,10R,11R)-7β,11-Dimethyl-9α-hydroxy-18β-(β-D-glucopyranosyloxy)-19-[(E)-ethylidene]-4,13,17-trioxatricyclo[13.4.0.06,10]nonadeca-15-ene-3,14-dione
  • ヌジフロシドC
  • Nudifloside C
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