Chem
J-GLOBAL ID：200907022151640056   Nikkaji number：J1.559.292C

Myrsinionoside A

ミルシニオノシド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： C19H34O7
Molecular formula furigana： C19-H34-O7
Molecular weight： 374.474
InChI： InChI=1S/C19H34O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h10-11,13-18,20,22-24H,5-9H2,1-4H3/t10-,11-,13+,14-,15-,16+,17-,18-/m1/s1
InChI key： KWYYUGZOATVEPK-UAXCAKATSA-N
SMILES： C[C@H](CC[C@H]1[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (4S)-3,3,5α-トリメチル-4β-[(3R)-3-(β-D-グルコピラノシルオキシ)ブチル]シクロヘキサノン
  • (4S,5R)-3,3,5-トリメチル-4-[(3R)-3-{[(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}ブチル]シクロヘキサン-1-オン
  • (4S,5R)-3,3,5-trimethyl-4-[(3R)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]cyclohexan-1-one
Other name (3)：
  • (4S)-3,3,5α-Trimethyl-4β-[(3R)-3-(β-D-glucopyranosyloxy)butyl]cyclohexanone
  • ミルシニオノシドA
  • Myrsinionoside A
CAS registry number： 374569-55-8
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