Chem
J-GLOBAL ID：200907098613182926   Nikkaji number：J2.250.657I

(S)-1,7-Bis(3,4-dihydroxyphenyl)-5-[2-O-(2-methylbutanoyl)-β-D-xylopyranosyloxy]-3-heptanone

(S)-1,7-ビス(3,4-ジヒドロキシフェニル)-5-[2-O-(2-メチルブタノイル)-β-D-キシロピラノシルオキシ]-3-ヘプタノン
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： C29H38O11
Molecular formula furigana： C29-H38-O11
Molecular weight： 562.612
InChI： InChI=1S/C29H38O11/c1-3-16(2)28(37)40-27-26(36)25(35)15-38-29(27)39-20(9-5-18-7-11-22(32)24(34)13-18)14-19(30)8-4-17-6-10-21(31)23(33)12-17/h6-7,10-13,16,20,25-27,29,31-36H,3-5,8-9,14-15H2,1-2H3/t16?,20-,25+,26-,27+,29-/m0/s1
InChI key： DCXFPVCKNREVLL-IUEOUUKFSA-N
SMILES： CCC(C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)CO[C@H]1O[C@@H](CCc1ccc(O)c(O)c1)CC(=O)CCc1ccc(O)c(O)c1
Systematic name  (3)：
  • (S)-1,7-ビス(3,4-ジヒドロキシフェニル)-5-[2-O-(2-メチルブタノイル)-β-D-キシロピラノシルオキシ]-3-ヘプタノン
  • (2S,3R,4S,5R)-2-{[(3S)-1,7-ビス(3,4-ジヒドロキシフェニル)-5-オキソヘプタン-3-イル]オキシ}-4,5-ジヒドロキシオキサン-3-イル 2-メチルブタノアート
  • (2S,3R,4S,5R)-2-{[(3S)-1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl 2-methylbutanoate
Other name (1)：
  • (S)-1,7-Bis(3,4-dihydroxyphenyl)-5-[2-O-(2-methylbutanoyl)-β-D-xylopyranosyloxy]-3-heptanone
Thsaurus map：
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