Chem
J-GLOBAL ID：200907080594634733   Nikkaji number：J508.588H

Kanokoside D

カノコシド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： C27H44O16
Molecular formula furigana： C27-H44-O16
Molecular weight： 624.633
InChI： InChI=1S/C27H44O16/c1-10(2)3-17(31)43-25-18-12(4-14(30)13(18)5-28)11(7-38-25)8-39-26-24(37)22(35)20(33)16(42-26)9-40-27-23(36)21(34)19(32)15(6-29)41-27/h7,10,12-16,18-30,32-37H,3-6,8-9H2,1-2H3/t12-,13-,14+,15-,16-,18+,19-,20-,21+,22+,23-,24-,25+,26-,27-/m1/s1
InChI key： AKTRFOPOAKDICT-GHHIWPQQSA-N
SMILES： CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@H](CO)[C@@H]12
Systematic name  (3)：
  • [[(1S)-1,4aα,5,6,7,7aα-ヘキサヒドロ-6α-ヒドロキシ-7β-(ヒドロキシメチル)-1-(3-メチル-1-オキソブトキシ)シクロペンタ[c]ピラン]-4-イル]メチル6-O-β-D-グルコピラノシル-β-D-グルコピラノシド
  • (1S,4aS,6S,7R,7aS)-6-ヒドロキシ-7-(ヒドロキシメチル)-4-({[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(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)オキサン-2-イル]オキシ}メチル)-1H,4aH,5H,6H,7H,7aH-シクロペンタ[c]ピラン-1-イル 3-メチルブタノアート
  • (1S,4aS,6S,7R,7aS)-6-hydroxy-7-(hydroxymethyl)-4-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoate
Other name (3)：
  • カノコシドD
  • Kanokoside D
  • [[(1S)-1,4aα,5,6,7,7aα-Hexahydro-6α-hydroxy-7β-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran]-4-yl]methyl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside
CAS registry number： 64703-88-4
KEGG COMPOUND： C17431
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