Chem
J-GLOBAL ID：200907024504923548   Nikkaji number：J1.666.677G

Jasnudifloside J

ジャスヌジフロシドJ
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/c1-4-13-15-6-20(29)34-9-16-12(3)18(28)5-14(16)11(2)8-35-24(33)17(15)10-36-25(13)38-26-23(32)22(31)21(30)19(7-27)37-26/h4,10-12,14-16,18-19,21-23,25-28,30-32H,5-9H2,1-3H3/b13-4+/t11-,12+,14-,15-,16+,18-,19+,21+,22-,23+,25-,26-/m0/s1
InChI key： GWTDMDFFRRXQGH-VWWGNFNJSA-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@@H](O)C[C@H]1[C@@H](C)COC2=O
Systematic name  (3)：
  • (1S,2R,9S,11S,16S,17R,18S)-2,17-ジメチル-9-(β-D-グルコピラノシルオキシ)-10-[(E)-エチリデン]-18-ヒドロキシ-4,8,14-トリオキサトリシクロ[14.3.0.06,11]ノナデカン-6-エン-5,13-ジオン
  • (5R,6S,8S,9R,10S,15S,16E,17S)-16-エチリデン-8-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,6S,8S,9R,10S,15S,16E,17S)-16-ethylidene-8-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,2R,9S,11S,16S,17R,18S)-2,17-Dimethyl-9-(β-D-glucopyranosyloxy)-10-[(E)-ethylidene]-18-hydroxy-4,8,14-trioxatricyclo[14.3.0.06,11]nonadecane-6-ene-5,13-dione
  • ジャスヌジフロシドJ
  • Jasnudifloside J
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