Acacipetalin
[CAS# 644-68-8]

Identification

• Name: Acacipetalin
• Synonyms: 3-Methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-But-2-Enenitrile; 3-Methyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]But-2-Enenitrile; 3-Methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-But-2-Enenitrile
• Molecular Formula: C₁₁H₁₇NO₆
• Molecular Weight: 259.26
• CAS Registry Number: 644-68-8
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC(C#N)=C(C)C
• InChI: 1S/C11H17NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h7-11,13-16H,4H2,1-2H3/t7-,8-,9+,10-,11-/m1/s1
• InChIKey: MYXHDFJISNKPJY-KAMPLNKDSA-N