Chem
J-GLOBAL ID：200907057324011295   Nikkaji number：J1.666.676I

Jasnudifloside I

ジャスヌジフロシドI
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)36-18-5-14(16(7-27)12(18)3)11(2)9-34-24(33)17(15)10-35-25(13)38-26-23(32)22(31)21(30)19(8-28)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： UYXDHLVWIBOTCN-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)O[C@H]1C[C@H]([C@H](CO)[C@H]1C)[C@@H](C)COC2=O
Systematic name  (3)：
  • (1S,2R,9S,11S,15S,16R,17S)-2,16-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]-17-(ヒドロキシメチル)-4,8,14-トリオキサトリシクロ[13.2.1.06,11]オクタデカン-6-エン-5,13-ジオン
  • (1S,5S,6E,7S,14R,15S,16S,17R)-6-エチリデン-16-(ヒドロキシメチル)-14,17-ジメチル-7-{[(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}-2,8,12-トリオキサトリシクロ[13.2.1.05,10]オクタデカ-9-エン-3,11-ジオン
  • (1S,5S,6E,7S,14R,15S,16S,17R)-6-ethylidene-16-(hydroxymethyl)-14,17-dimethyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,8,12-trioxatricyclo[13.2.1.05,10]octadec-9-ene-3,11-dione
Other name (3)：
  • (1S,2R,9S,11S,15S,16R,17S)-2,16-Dimethyl-9-(β-D-glucopyranosyloxy)-10-[(E)-ethylidene]-17-(hydroxymethyl)-4,8,14-trioxatricyclo[13.2.1.06,11]octadecane-6-ene-5,13-dione
  • ジャスヌジフロシドI
  • Jasnudifloside I
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