Holocalin
[CAS# 41753-54-2]

Identification

• Name: Holocalin
• Synonyms: (2R)-2-(3-Hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Acetonitrile; (2R)-2-(3-Hydroxyphenyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Acetonitrile; (2R)-2-(3-Hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Acetonitrile
• Molecular Formula: C₁₄H₁₇NO₇
• Molecular Weight: 311.29
• CAS Registry Number: 41753-54-2
• EINECS: 255-533-3
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)O[C@@H](C#N)C2=CC(=CC=C2)O
• InChI: 1S/C14H17NO7/c15-5-9(7-2-1-3-8(17)4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10+,11+,12-,13+,14+/m0/s1
• InChIKey: KCVXNPDAHDGXFD-GMDXDWKASA-N