Chem
J-GLOBAL ID：200907008634194828   Nikkaji number：J663.261K

Roseoside II

ロセオシドII
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： C19H30O8
Molecular formula furigana： C19-H30-O8
Molecular weight： 386.441
InChI： InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/t11-,13-,14-,15+,16-,17-,19-/m1/s1
InChI key： SWYRVCGNMNAFEK-SUHXYMONSA-N
SMILES： C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C[C@@]1(O)C(=CC(=O)CC1(C)C)C
Systematic name  (4)：
  • (S)-4-[(R)-3-(β-D-グルコピラノシルオキシ)-1-ブテニル]-4β-ヒドロキシ-3,5,5-トリメチルシクロヘキサ-2-エン-1-オン
  • [(R)-3-(1-ヒドロキシ-2,6,6-トリメチル-4-オキソ-2-シクロヘキセン-1β-イル)-1-メチル-2-プロペニル]β-D-グルコピラノシド
  • (4S)-4-ヒドロキシ-3,5,5-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}ブタ-1-エン-1-イル]シクロヘキサ-2-エン-1-オン
  • (4S)-4-hydroxy-3,5,5-trimethyl-4-[(3R)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one
Other name (4)：
  • ロセオシドII
  • Roseoside II
  • (S)-4-[(R)-3-(β-D-Glucopyranosyloxy)-1-butenyl]-4β-hydroxy-3,5,5-trimethylcyclohexa-2-en-1-one
  • [(R)-3-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexene-1β-yl)-1-methyl-2-propenyl]β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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