Chem
J-GLOBAL ID：200907024081426348   Nikkaji number：J1.522.057K

(2E,6R)-2,6-Dimethyl-8-[6-O-(4-hydroxy-trans-cinnamoyl)-β-D-glucopyranosyloxy]-2-octenoic acid

(2E,6R)-2,6-ジメチル-8-[6-O-(4-ヒドロキシ-trans-シンナモイル)-β-D-グルコピラノシルオキシ]-2-オクテン酸
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： C25H34O10
Molecular formula furigana： C25-H34-O10
Molecular weight： 494.537
InChI： InChI=1S/C25H34O10/c1-15(4-3-5-16(2)24(31)32)12-13-33-25-23(30)22(29)21(28)19(35-25)14-34-20(27)11-8-17-6-9-18(26)10-7-17/h5-11,15,19,21-23,25-26,28-30H,3-4,12-14H2,1-2H3,(H,31,32)/b11-8+,16-5+/t15-,19-,21-,22+,23-,25-/m1/s1
InChI key： USLCVDUWFDTGAD-BZXOTNRDSA-N
SMILES： C[C@@H](CCO[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)CC/C=C(\C)/C(=O)O
Systematic name  (3)：
  • (2E,6R)-2,6-ジメチル-8-[6-O-(4-ヒドロキシ-trans-シンナモイル)-β-D-グルコピラノシルオキシ]-2-オクテン酸
  • (2E,6R)-2,6-ジメチル-8-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノイル]オキシ}メチル)オキサン-2-イル]オキシ}オクタ-2-エン酸
  • (2E,6R)-2,6-dimethyl-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oct-2-enoic acid
Other name (1)：
  • (2E,6R)-2,6-Dimethyl-8-[6-O-(4-hydroxy-trans-cinnamoyl)-β-D-glucopyranosyloxy]-2-octenoic acid
Thsaurus map：
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