Petromyzonol 3,7,12,24-Tetrasulfate Tetrapotassium Salt

Analyte Name

Petromyzonol-3,7,12,21-tetrasulfate

CAS Number

384342-62-5

Molecular Formula

C24 H42 O16 S4

Molecular Weight

714.84

Accurate Mass

714.1356

SMILES

C[C@H](CCCOS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OS(=O)(=O)O)[C@]12C)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C24H42O16S4/c1-14(5-4-10-37-41(25,26)27)17-6-7-18-22-19(13-21(24(17,18)3)40-44(34,35)36)23(2)9-8-16(38-42(28,29)30)11-15(23)12-20(22)39-43(31,32)33/h14-22H,4-13H2,1-3H3,(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1

IUPAC

[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7-disulfooxy-17-[(2R)-5-sulfooxypentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl] hydrogen sulfate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)