Chem
J-GLOBAL ID：201707016062431225   Nikkaji number：J3.589.718F

Bacomoside B1

バコモシドB1
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： C24H28O12
Molecular formula furigana： C24-H28-O12
Molecular weight： 508.476
InChI： InChI=1S/C24H28O12/c1-33-19(13-4-6-15(27)17(29)9-13)11-34-24-22(32)23(21(31)18(10-25)35-24)36-20(30)7-3-12-2-5-14(26)16(28)8-12/h2-9,18-19,21-29,31-32H,10-11H2,1H3/b7-3+/t18-,19?,21-,22-,23+,24-/m1/s1
InChI key： XIBRCTSDETZTQQ-UKIYQILQSA-N
SMILES： COC(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O)c1ccc(O)c(O)c1
Systematic name  (3)：
  • 3,4-ジヒドロキシ-β-メトキシフェネチル3-O-(3,4-ジヒドロキシ-trans-シンナモイル)-β-D-グルコピラノシド
  • (2R,3R,4S,5R,6R)-2-[2-(3,4-ジヒドロキシフェニル)-2-メトキシエトキシ]-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル (2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • (2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (3)：
  • 3,4-Dihydroxy-β-methoxyphenethyl 3-O-(3,4-dihydroxy-trans-cinnamoyl)-β-D-glucopyranoside
  • Bacomoside B1
  • バコモシドB1
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