Analyte Name

Stigmasteryl Tosylate

CAS Number

53139-42-7

Molecular Formula

C36 H54 O3 S

Molecular Weight

566.877

Accurate Mass

566.379

SMILES

CC[C@H](\C=C\C(C)C1CC[C@@H]2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)c5ccc(C)cc5)C(C)C

InChI

InChI=1S/C36H54O3S/c1-8-27(24(2)3)12-11-26(5)32-17-18-33-31-16-13-28-23-29(39-40(37,38)30-14-9-25(4)10-15-30)19-21-35(28,6)34(31)20-22-36(32,33)7/h9-15,24,26-27,29,31-34H,8,16-23H2,1-7H3/b12-11+/t26?,27-,29-,31+,32?,33-,34+,35+,36-/m1/s1

IUPAC

[(3R,8S,9S,10R,13R,14R)-17-[(E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat