Chem
J-GLOBAL ID：200907077194832357   Nikkaji number：J508.043F

Kanokoside A

カノコシド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： C21H32O12
Molecular formula furigana： C21-H32-O12
Molecular weight： 476.475
InChI： InChI=1S/C21H32O12/c1-8(2)3-11(24)32-19-13-12(17-18(33-17)21(13,28)7-23)9(5-29-19)6-30-20-16(27)15(26)14(25)10(4-22)31-20/h5,8,10,12-20,22-23,25-28H,3-4,6-7H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18+,19+,20-,21-/m1/s1
InChI key： CHSDMOZSQFIUGK-MZHNZBIYSA-N
SMILES： CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]3O[C@@H]3[C@@](O)(CO)[C@@H]12
Systematic name  (3)：
  • [(1aS)-1aα,1bβ,5,5aβ,6,6aα-ヘキサヒドロ-6β-ヒドロキシ-6-(ヒドロキシメチル)-5β-(3-メチル-1-オキソブトキシ)オキシレノ[3,4]シクロペンタ[1,2-c]ピラン]-2-イルメチルβ-D-グルコピラノシド
  • (1S,2S,4S,5S,6S,7S)-5-ヒドロキシ-5-(ヒドロキシメチル)-10-({[(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}メチル)-3,8-ジオキサトリシクロ[4.4.0.02,4]デカ-9-エン-7-イル 3-メチルブタノアート
  • (1S,2S,4S,5S,6S,7S)-5-hydroxy-5-(hydroxymethyl)-10-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,8-dioxatricyclo[4.4.0.02,4]dec-9-en-7-yl 3-methylbutanoate
Other name (3)：
  • カノコシドA
  • Kanokoside A
  • [(1aS)-1aα,1bβ,5,5aβ,6,6aα-Hexahydro-6β-hydroxy-6-(hydroxymethyl)-5β-(3-methyl-1-oxobutoxy)oxireno[3,4]cyclopenta[1,2-c]pyran]-2-ylmethyl β-D-glucopyranoside
CAS registry number： 64703-85-1
KEGG COMPOUND： C17428
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