Chem
J-GLOBAL ID：200907015940580983   Nikkaji number：J2.080.025I

Breyniaionoside D

ブレイニアイオノシド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： C19H32O8
Molecular formula furigana： C19-H32-O8
Molecular weight： 388.457
InChI： InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(8-20)27-17)4-5-13-18(2)6-11(21)7-19(13,3)25-9-18/h4-5,10-17,20-24H,6-9H2,1-3H3/b5-4+/t10-,11+,12-,13-,14-,15+,16-,17-,18-,19-/m1/s1
InChI key： WOGLMZTXOUNIQM-REEFUKRJSA-N
SMILES： C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C=C/[C@@H]1[C@@]2(C)CO[C@]1(C)C[C@@H](O)C2
Systematic name  (3)：
  • (1S,3S,5R,8R)-1,5-ジメチル-8-[(1E,3R)-3-(β-D-グルコピラノシルオキシ)-1-ブテニル]-6-オキサビシクロ[3.2.1]オクタン-3-オール
  • (2R,3R,4S,5S,6R)-2-{[(2R,3E)-4-[(1S,3S,5R,8R)-3-ヒドロキシ-1,5-ジメチル-6-オキサビシクロ[3.2.1]オクタン-8-イル]ブタ-3-エン-2-イル]オキシ}-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,3E)-4-[(1S,3S,5R,8R)-3-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]but-3-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • (1S,3S,5R,8R)-1,5-Dimethyl-8-[(1E,3R)-3-(β-D-glucopyranosyloxy)-1-butenyl]-6-oxabicyclo[3.2.1]octane-3-ol
  • ブレイニアイオノシドD
  • Breyniaionoside D
Thsaurus map：
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