Chem
J-GLOBAL ID：200907003409652556   Nikkaji number：J4.467I

Pteroside A

プテロシドA
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： C21H30O8
Molecular formula furigana： C21-H30-O8
Molecular weight： 410.463
InChI： InChI=1S/C21H30O8/c1-10-6-12-7-21(3,9-23)19(27)15(12)11(2)13(10)4-5-28-20-18(26)17(25)16(24)14(8-22)29-20/h6,14,16-18,20,22-26H,4-5,7-9H2,1-3H3/t14-,16-,17+,18-,20-,21+/m1/s1
InChI key： UTBLUTBCAVVCIO-HPCBLLCTSA-N
SMILES： Cc1cc2C[C@@](C)(CO)C(=O)c2c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (S)-6-[2-(β-D-グルコピラノシルオキシ)エチル]-2-(ヒドロキシメチル)-2,5,7-トリメチル-1-インダノン
  • (2S)-2-(ヒドロキシメチル)-2,5,7-トリメチル-6-(2-{[(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}エチル)-2,3-ジヒドロ-1H-インデン-1-オン
  • (2S)-2-(hydroxymethyl)-2,5,7-trimethyl-6-(2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydro-1H-inden-1-one
Other name (4)：
  • プテロシドA
  • Pteroside A
  • (S)-6-[2-(β-D-glucopyranosyloxy)ethyl]-2-(hydroxymethyl)-2,5,7-trimethyl-1-indanone
  • (S)-6-[2-(β-D-Glucopyranosyloxy)ethyl]-2-(hydroxymethyl)-2,5,7-trimethyl-1-indanone
CAS registry number： 35910-15-7
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