Analyte Name

4-(Methylthio)benzenemethanol

CAS Number

3446-90-0

Molecular Formula

C26 H33 F O8

Molecular Weight

492.534

Accurate Mass

492.216

SMILES

CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@H]1C[C@@H]3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@]23C

InChI

InChI=1S/C26H33FO8/c1-13(28)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(30)17-8-14(29)6-7-23(17,4)25(16,27)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,30-31H,9-12H2,1-5H3/t15-,16+,18-,19+,21+,23+,24+,25-,26+/m1/s1

IUPAC

[2-[(1S,2R,4S,8R,9S,11S,12S,13S,19R)-12-fluoro-11,19-dihydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat