Chem
J-GLOBAL ID：200907037387265032   Nikkaji number：J1.973.619I

Celephthalide B

セレフタリド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： C23H32O12
Molecular formula furigana： C23-H32-O12
Molecular weight： 500.497
InChI： InChI=1S/C23H32O12/c1-11(6-7-14-12-4-2-3-5-13(12)20(29)34-14)33-21-18(27)17(26)16(25)15(35-21)8-31-22-19(28)23(30,9-24)10-32-22/h2-5,11,14-19,21-22,24-28,30H,6-10H2,1H3/t11-,14?,15+,16+,17-,18+,19-,21+,22+,23+/m0/s1
InChI key： AQFHCINVOSWVHN-MXPDVPMWSA-N
SMILES： C[C@@H](CCC1OC(=O)c2ccccc12)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3-[(S)-3-(6-O-D-アピオ-β-D-フラノシル-β-D-グルコピラノシルオキシ)ブチル]イソベンゾフラン-1(3H)-オン
  • 3-[(3S)-3-{[(2R,3R,4S,5S,6R)-6-({[(2R,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}メチル)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}ブチル]-1,3-ジヒドロ-2-ベンゾフラン-1-オン
  • 3-[(3S)-3-{[(2R,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}butyl]-1,3-dihydro-2-benzofuran-1-one
Other name (3)：
  • 3-[(S)-3-(6-O-D-Apio-β-D-furanosyl-β-D-glucopyranosyloxy)butyl]isobenzofuran-1(3H)-one
  • セレフタリドB
  • Celephthalide B
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