Chem
J-GLOBAL ID：200907091605811197   Nikkaji number：J1.704.494J

Turpinionoside E

ツルピニオノシドE
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： C19H32O8
Molecular formula furigana： C19-H32-O8
Molecular weight： 388.457
InChI： InChI=1S/C19H32O8/c1-9(21)5-6-11-10(2)12(22)7-14(19(11,3)4)27-18-17(25)16(24)15(23)13(8-20)26-18/h9,13-18,20-21,23-25H,5-8H2,1-4H3/t9-,13-,14+,15-,16+,17-,18+/m1/s1
InChI key： AJXYNZCNGHTKHQ-NBBQBKSFSA-N
SMILES： C[C@@H](O)CCC1=C(C)C(=O)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1(C)C
Systematic name  (3)：
  • 2,4,4-トリメチル-3-[(3R)-3-ヒドロキシブチル]-5β-(β-D-グルコピラノシルオキシ)-2-シクロヘキセン-1-オン
  • (5S)-3-[(3R)-3-ヒドロキシブチル]-2,4,4-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}シクロヘキサ-2-エン-1-オン
  • (5S)-3-[(3R)-3-hydroxybutyl]-2,4,4-trimethyl-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-one
Other name (3)：
  • 2,4,4-Trimethyl-3-[(3R)-3-hydroxybutyl]-5β-(β-D-glucopyranosyloxy)-2-cyclohexene-1-one
  • ツルピニオノシドE
  • Turpinionoside E
Thsaurus map：
Thesaurus Map

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