Chem
J-GLOBAL ID：200907026161789479   Nikkaji number：J2.080.027E

Breynioside B

ブレイニオシドB
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/c25-11-24(31)12-33-23(20(24)29)36-19-18(28)17(27)16(10-32-21(30)13-4-2-1-3-5-13)35-22(19)34-15-8-6-14(26)7-9-15/h1-9,16-20,22-23,25-29,31H,10-12H2/t16-,17-,18+,19-,20+,22-,23+,24-/m1/s1
InChI key： FLOYZSWQFOPSLH-JALRXJJFSA-N
SMILES： OC[C@@]1(O)CO[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)c3ccccc3)O[C@H]2Oc2ccc(O)cc2)[C@@H]1O
Systematic name  (3)：
  • 4-ヒドロキシフェニル2-O-D-アピオ-β-D-フラノシル-6-O-ベンゾイル-β-D-グルコピラノシド
  • [(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-ジヒドロキシ-4-(ヒドロキシメチル)オキソラン-2-イル]オキシ}-3,4-ジヒドロキシ-6-(4-ヒドロキシフェノキシ)オキサン-2-イル]メチル ベンゾアート
  • [(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl benzoate
Other name (3)：
  • 4-Hydroxyphenyl 2-O-D-apio-β-D-furanosyl-6-O-benzoyl-β-D-glucopyranoside
  • ブレイニオシドB
  • Breynioside B
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