Chem
J-GLOBAL ID：201807006112766608   Nikkaji number：J3.722.228C

Undatuside C

ウンダツシドC
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： C20H28O10
Molecular formula furigana： C20-H28-O10
Molecular weight： 428.434
InChI： InChI=1S/C20H28O10/c1-20(27,9-14(21)22)10-15(23)29-11-13-16(24)17(25)18(26)19(30-13)28-8-7-12-5-3-2-4-6-12/h2-6,13,16-19,24-27H,7-11H2,1H3,(H,21,22)/t13-,16-,17+,18-,19-,20+/m1/s1
InChI key： SPPBRWREFFNMBW-IDBQTPICSA-N
SMILES： C[C@](O)(CC(=O)O)CC(=O)OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • フェネチル6-O-[(3S)-4-カルボキシ-3-ヒドロキシ-3-メチルブチリル]-β-D-グルコピラノシド
  • (3S)-3-ヒドロキシ-3-メチル-5-オキソ-5-{[(2R,3S,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(2-フェニルエトキシ)オキサン-2-イル]メトキシ}ペンタン酸
  • (3S)-3-hydroxy-3-methyl-5-oxo-5-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy}pentanoic acid
Other name (3)：
  • Phenethyl 6-O-[(3S)-4-carboxy-3-hydroxy-3-methylbutyryl]-β-D-glucopyranoside
  • ウンダツシドC
  • Undatuside C
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