Chem
J-GLOBAL ID：200907054109974016   Nikkaji number：J994.113D

Jasminoside B

ジャスミノシド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： C16H26O8
Molecular formula furigana： C16-H26-O8
Molecular weight： 346.376
InChI： InChI=1S/C16H26O8/c1-16(2)4-9(19)3-8(10(16)5-17)7-23-15-14(22)13(21)12(20)11(6-18)24-15/h3,10-15,17-18,20-22H,4-7H2,1-2H3/t10-,11-,12-,13+,14-,15-/m1/s1
InChI key： XBRXLXOCHNGHBC-PLJUSGQGSA-N
SMILES： CC1(C)CC(=O)C=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1CO
Systematic name  (3)：
  • (4S)-3-[(β-D-グルコピラノシルオキシ)メチル]-4β-(ヒドロキシメチル)-5,5-ジメチル-2-シクロヘキセン-1-オン
  • (4S)-4-(ヒドロキシメチル)-5,5-ジメチル-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}メチル)シクロヘキサ-2-エン-1-オン
  • (4S)-4-(hydroxymethyl)-5,5-dimethyl-3-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one
Other name (3)：
  • (4S)-3-[(β-D-Glucopyranosyloxy)methyl]-4β-(hydroxymethyl)-5,5-dimethyl-2-cyclohexene-1-one
  • ジャスミノシドB
  • Jasminoside B
Thsaurus map：
Thesaurus Map

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