Chem
J-GLOBAL ID：200907090923309461   Nikkaji number：J1.538.045D

Officinoside A

オフィシノシド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： C19H32O8
Molecular formula furigana： C19-H32-O8
Molecular weight： 388.457
InChI： InChI=1S/C19H32O8/c1-9(21)11-5-13-18(2,3)6-10(7-19(13,4)27-11)25-17-16(24)15(23)14(22)12(8-20)26-17/h5,9-12,14-17,20-24H,6-8H2,1-4H3/t9-,10+,11+,12-,14-,15+,16-,17-,19-/m1/s1
InChI key： PIVPPCDKFVJHEG-JKBKDFLTSA-N
SMILES： C[C@@H](O)[C@H]1O[C@]2(C)C[C@H](CC(C)(C)C2=C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • [(2S)-2α-[(R)-1-ヒドロキシエチル]-4,4,7aα-トリメチル-2,4,5,6,7,7a-ヘキサヒドロベンゾフラン-6α-イル]β-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-2-{[(2S,6S,7aR)-2-[(1R)-1-ヒドロキシエチル]-4,4,7a-トリメチル-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}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(2S,6S,7aR)-2-[(1R)-1-hydroxyethyl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • [(2S)-2α-[(R)-1-Hydroxyethyl]-4,4,7aα-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-6α-yl]β-D-glucopyranoside
  • オフィシノシドA
  • Officinoside A
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