Chem
J-GLOBAL ID：200907070608810470   Nikkaji number：J819.330D

Chorchoionoside B

コルコイオノシド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： C19H28O9
Molecular formula furigana： C19-H28-O9
Molecular weight： 400.424
InChI： InChI=1S/C19H28O9/c1-10-6-12(22)7-18(2,3)19(10,26)5-4-11(21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,13-17,20,23-26H,7-9H2,1-3H3/b5-4+/t13-,14-,15+,16-,17-,19-/m1/s1
InChI key： FUXBESIRIBMOMU-BOKWDPDESA-N
SMILES： CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(=O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3,5,5-トリメチル-4β-ヒドロキシ-4-[(E)-3-オキソ-4-(β-D-グルコピラノシルオキシ)-1-ブテニル]-2-シクロヘキセン-1-オン
  • (4S)-4-ヒドロキシ-3,5,5-トリメチル-4-[(1E)-3-オキソ-4-{[(2R,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}ブタ-1-エン-1-イル]シクロヘキサ-2-エン-1-オン
  • (4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one
Other name (3)：
  • コルコイオノシドB
  • Chorchoionoside B
  • 3,5,5-Trimethyl-4β-hydroxy-4-[(E)-3-oxo-4-(β-D-glucopyranosyloxy)-1-butenyl]-2-cyclohexen-1-one
Thsaurus map：
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