Chem
J-GLOBAL ID：200907026084560854   Nikkaji number：J2.231.578A

Zingiberoside A

ジンギベロシド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： C22H38O12
Molecular formula furigana： C22-H38-O12
Molecular weight： 494.534
InChI： InChI=1S/C22H38O12/c1-21(2)8-4-12(34-20-18(30)16(28)14(26)11(7-24)33-20)22(21,3)5-9(8)31-19-17(29)15(27)13(25)10(6-23)32-19/h8-20,23-30H,4-7H2,1-3H3/t8-,9+,10+,11+,12-,13+,14+,15-,16-,17+,18+,19+,20-,22-/m0/s1
InChI key： SFITUYKLTXNMKW-SKWDXWRFSA-N
SMILES： CC1(C)[C@H]2C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]1(C)C[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (1R,4R)-2β,5α-ビス(β-D-グルコピラノシルオキシ)ボルナン
  • (2R,3S,4S,5R,6R)-2-(ヒドロキシメチル)-6-{[(1R,2S,4R,5R)-1,7,7-トリメチル-5-{[(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}ビシクロ[2.2.1]ヘプタン-2-イル]オキシ}オキサン-3,4,5-トリオール
  • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(1R,2S,4R,5R)-1,7,7-trimethyl-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}bicyclo[2.2.1]heptan-2-yl]oxy}oxane-3,4,5-triol
Other name (3)：
  • (1R,4R)-2β,5α-Bis(β-D-glucopyranosyloxy)bornane
  • ジンギベロシドA
  • Zingiberoside A
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