Chem
J-GLOBAL ID：200907065638830099   Nikkaji number：J1.686.066B

Cynarascoloside B

シナラスコロシド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： C21H32O9
Molecular formula furigana： C21-H32-O9
Molecular weight： 428.478
InChI： InChI=1S/C21H32O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h8-19,21-26H,1,4-6H2,2-3H3/t8-,9+,10+,11+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1
InChI key： BOYYQYRAKVYWCI-WCRLOTECSA-N
SMILES： C[C@@H]1[C@@H](O)C[C@@H]2[C@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1[C@H](CC2=C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (5)：
  • (3S)-3aβ,4,5,6,6aβ,7,8,9,9aβ,9bα-デカヒドロ-4β-(β-D-グルコピラノシルオキシ)-8α-ヒドロキシ-3β,9β-ジメチル-6-メチレンアズレノ[4,5-b]フラン-2(3H)-オン
  • (3S,3aβ,6aβ,9aβ,9bα)-3β,9β-ジメチル-4β-(β-D-グルコピラノシルオキシ)-6-メチレン-8α-ヒドロキシドデカヒドロアズレノ[4,5-b]フラン-2-オン
  • (3aR)-3β,9β-ジメチル-4β-(β-D-グルコピラノシルオキシ)-6-メチレン-8α-ヒドロキシ-3aβ,4,5,6,6aβ,7,8,9,9aβ,9bα-デカヒドロアズレノ[4,5-b]フラン-2(3H)-オン
  • (3S,3aR,4S,6aR,8S,9S,9aR,9bR)-8-ヒドロキシ-3,9-ジメチル-6-メチリデン-4-{[(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}-ドデカヒドロアズレノ[4,5-b]フラン-2-オン
  • (3S,3aR,4S,6aR,8S,9S,9aR,9bR)-8-hydroxy-3,9-dimethyl-6-methylidene-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[4,5-b]furan-2-one
Other name (7)：
  • (3S)-3aβ,4,5,6,6aβ,7,8,9,9aβ,9bα-Decahydro-4β-(β-D-glucopyranosyloxy)-8α-hydroxy-3β,9β-dimethyl-6-methyleneazuleno[4,5-b]furan-2(3H)-one
  • Cynaroglucoside A
  • シナログルコシドA
  • (3S,3aβ,6aβ,9aβ,9bα)-3β,9β-Dimethyl-4β-(β-D-glucopyranosyloxy)-6-methylene-8α-hydroxydodecahydroazuleno[4,5-b]furan-2-one
  • シナラスコロシドB
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