Analyte Name

Benzyl 6-Oxohexanoate

CAS Number

147790-52-1

Molecular Formula

C36 H38 O7 S

Molecular Weight

614.748

Accurate Mass

614.234

SMILES

COc1ccc(COC2[C@@H](OC3COC(O[C@@H]3C2OCc4ccc(OC)cc4)c5ccccc5)Sc6ccc(C)cc6)cc1

InChI

InChI=1S/C36H38O7S/c1-24-9-19-30(20-10-24)44-36-34(40-22-26-13-17-29(38-3)18-14-26)33(39-21-25-11-15-28(37-2)16-12-25)32-31(42-36)23-41-35(43-32)27-7-5-4-6-8-27/h4-20,31-36H,21-23H2,1-3H3/t31?,32-,33?,34?,35?,36-/m0/s1

IUPAC

(6S,8aS)-7,8-bis[(4-methoxyphenyl)methoxy]-6-(4-methylphenyl)sulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat