Chem
J-GLOBAL ID：200907082440806313   Nikkaji number：J1.271.987F

Glochidionolactone D

グロキジオノラクトン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： C21H24O12
Molecular formula furigana： C21-H24-O12
Molecular weight： 468.411
InChI： InChI=1S/C21H24O12/c22-11-3-9(4-12(23)16(11)25)20(29)30-7-14-17(26)18(27)19(28)21(33-14)31-10-2-1-8-5-15(24)32-13(8)6-10/h3-5,10,13-14,17-19,21-23,25-28H,1-2,6-7H2/t10-,13-,14+,17+,18-,19+,21+/m0/s1
InChI key： GAKDFFTYXPWKQR-GLYYDJJDSA-N
SMILES： O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](O[C@H]2CCC3=CC(=O)O[C@H]3C2)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (6S)-6α-[6-O-(3,4,5-トリヒドロキシベンゾイル)-β-D-グルコピラノシルオキシ]-2,4,5,6,7,7aβ-ヘキサヒドロベンゾフラン-2-オン
  • [(2R,3S,4S,5R,6R)-6-{[(6S,7aS)-2-オキソ-2,4,5,6,7,7a-ヘキサヒドロ-1-ベンゾフラン-6-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メチル 3,4,5-トリヒドロキシベンゾアート
  • [(2R,3S,4S,5R,6R)-6-{[(6S,7aS)-2-oxo-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Other name (3)：
  • (6S)-6α-[6-O-(3,4,5-Trihydroxybenzoyl)-β-D-glucopyranosyloxy]-2,4,5,6,7,7aβ-hexahydrobenzofuran-2-one
  • グロキジオノラクトンD
  • Glochidionolactone D
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