Marein
[CAS# 535-96-6]

Identification

• Name: Marein
• Synonyms: (E)-3-(3,4-Dihydroxyphenyl)-1-[2,3-Dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Phenyl]Prop-2-En-1-One; (E)-3-(3,4-Dihydroxyphenyl)-1-[2,3-Dihydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]Prop-2-En-1-One; (E)-3-(3,4-Dihydroxyphenyl)-1-[2,3-Dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Phenyl]Prop-2-En-1-One
• Molecular Formula: C₂₁H₂₂O₁₁
• Molecular Weight: 450.40
• CAS Registry Number: 535-96-6
• EINECS: 208-623-1
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC3=CC=C(C(/C=C/C2=CC(=C(C=C2)O)O)=O)C(=C3O)O
• InChI: 1S/C21H22O11/c22-8-15-18(28)19(29)20(30)21(32-15)31-14-6-3-10(16(26)17(14)27)11(23)4-1-9-2-5-12(24)13(25)7-9/h1-7,15,18-22,24-30H,8H2/b4-1+/t15-,18-,19+,20-,21-/m1/s1
• InChIKey: XGEYXJDOVMEJNG-HTFDPZBKSA-N