(3S,4R)-3-Hydroxy-2,2-Dimethyl-4-[(3-Oxo-1-Cyclopentenyl)Oxy]Chroman-6-Carbonitrile
[CAS# 121055-10-5]

Identification

• Name: (3S,4R)-3-Hydroxy-2,2-Dimethyl-4-[(3-Oxo-1-Cyclopentenyl)Oxy]Chroman-6-Carbonitrile
• Synonyms: (3S,4R)-3-Hydroxy-2,2-Dimethyl-4-[(3-Oxo-1-Cyclopentenyl)Oxy]-6-Chromancarbonitrile; (3S,4R)-3-Hydroxy-4-[(3-Keto-1-Cyclopentenyl)Oxy]-2,2-Dimethyl-Chroman-6-Carbonitrile; Ncgc00163140-01
• Molecular Formula: C₁₇H₁₇NO₄
• Molecular Weight: 299.33
• CAS Registry Number: 121055-10-5
• SMILES: [C@@H]2(OC1=CC(=O)CC1)C3=C(OC([C@H]2O)(C)C)C=CC(=C3)C#N
• InChI: 1S/C17H17NO4/c1-17(2)16(20)15(21-12-5-4-11(19)8-12)13-7-10(9-18)3-6-14(13)22-17/h3,6-8,15-16,20H,4-5H2,1-2H3/t15-,16+/m1/s1
• InChIKey: WJBHHTPFTVKZCV-CVEARBPZSA-N