Chem
J-GLOBAL ID:200907018395449547   Nikkaji number:J1.955.476G

1-(4-Methyl-3-cyclohexenyl)-1-methylethyl 6-O-galloyl-β-D-galactopyranoside

1-(4-メチル-3-シクロヘキセニル)-1-メチルエチル6-O-ガロイル-β-D-ガラクトピラノシド
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: C23H32O10
Molecular formula furigana: C23-H32-O10
Molecular weight: 468.499
InChI: InChI=1S/C23H32O10/c1-11-4-6-13(7-5-11)23(2,3)33-22-20(29)19(28)18(27)16(32-22)10-31-21(30)12-8-14(24)17(26)15(25)9-12/h4,8-9,13,16,18-20,22,24-29H,5-7,10H2,1-3H3/t13?,16-,18+,19+,20-,22+/m1/s1
InChI key: SGZVUALRBMIRIV-YBXQIQOJSA-N
SMILES: CC1=CCC(CC1)C(C)(C)O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • 1-(4-メチル-3-シクロヘキセニル)-1-メチルエチル6-O-ガロイル-β-D-ガラクトピラノシド
  • [(2R,3R,4S,5R,6S)-3,4,5-トリヒドロキシ-6-{[2-(4-メチルシクロヘキサ-3-エン-1-イル)プロパン-2-イル]オキシ}オキサン-2-イル]メチル 3,4,5-トリヒドロキシベンゾアート
  • [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-{[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Other name (1):
  • 1-(4-Methyl-3-cyclohexenyl)-1-methylethyl 6-O-galloyl-β-D-galactopyranoside
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