Chem
J-GLOBAL ID：201107048654760560   Nikkaji number：J2.962.874B

(2R,3R)-2,4-Bis(3-methoxy-4-hydroxybenzyl)-3-(β-D-glucopyranosyloxymethyl)-1-butanol

(2R,3R)-2,4-ビス(3-メトキシ-4-ヒドロキシベンジル)-3-(β-D-グルコピラノシルオキシメチル)-1-ブタノール
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： C27H38O11
Molecular formula furigana： C27-H38-O11
Molecular weight： 538.590
InChI： InChI=1S/C27H38O11/c1-35-21-10-15(4-7-19(21)30)3-6-17(14-37-27-26(34)25(33)24(32)23(13-29)38-27)18(12-28)9-16-5-8-20(31)22(11-16)36-2/h4-5,7-8,10-11,17-18,23-34H,3,6,9,12-14H2,1-2H3/t17-,18-,23+,24+,25-,26+,27+/m0/s1
InChI key： RPZNAPOIUKYFQE-ZANVTELKSA-N
SMILES： COc1cc(CC[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O
Systematic name  (3)：
  • (2R,3R)-2,4-ビス(3-メトキシ-4-ヒドロキシベンジル)-3-(β-D-グルコピラノシルオキシメチル)-1-ブタノール
  • (2R,3R,4S,5S,6R)-2-[(2R,3R)-4-ヒドロキシ-2-[2-(4-ヒドロキシ-3-メトキシフェニル)エチル]-3-[(4-ヒドロキシ-3-メトキシフェニル)メチル]ブトキシ]-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-[(2R,3R)-4-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • (2R,3R)-2,4-Bis(3-methoxy-4-hydroxybenzyl)-3-(β-D-glucopyranosyloxymethyl)-1-butanol
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