Chem
J-GLOBAL ID：200907058545254075   Nikkaji number：J2.089.096G

Dichotomoside D

ジコトモシドD
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： C34H48O13
Molecular formula furigana： C34-H48-O13
Molecular weight： 664.745
InChI： InChI=1S/C34H48O13/c1-5-7-13-44-27(36)11-9-20-15-22(29(38)24(17-20)42-3)23-16-21(10-12-28(37)45-14-8-6-2)18-25(43-4)33(23)47-34-32(41)31(40)30(39)26(19-35)46-34/h15-18,26,30-32,34-35,38-41H,5-14,19H2,1-4H3/t26-,30-,31+,32-,34+/m1/s1
InChI key： VMLJWIKVMRPCIF-GVQAODHLSA-N
SMILES： CCCCOC(=O)CCc1cc(OC)c(O)c(c1)c1cc(CCC(=O)OCCCC)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 5,5′-ジメトキシ-6-(β-D-グルコピラノシルオキシ)-6′-ヒドロキシビフェニル-3,3′-ビスプロピオン酸ジブチル
  • ブチル 3-[5'-(3-ブトキシ-3-オキソプロピル)-6-ヒドロキシ-3',5-ジメトキシ-2'-{[(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}-[1,1'-ビフェニル]-3-イル]プロパノアート
  • butyl 3-[5'-(3-butoxy-3-oxopropyl)-6-hydroxy-3',5-dimethoxy-2'-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl]propanoate
Other name (3)：
  • 5,5′-Dimethoxy-6-(β-D-glucopyranosyloxy)-6′-hydroxybiphenyl-3,3′-bispropionic acid dibutyl ester
  • ジコトモシドD
  • Dichotomoside D
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