Analyte Name

Petromyzonol 3,12,24-Trisulfate Trisodium Salt

Molecular Formula

C24 H39 Na3 O13 S3

Molecular Weight

700.723

Accurate Mass

700.125

SMILES

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

InChI

InChI=1S/C24H42O13S3.3Na/c1-14(5-4-10-35-38(26,27)28)17-6-7-18-22-19(13-21(24(17,18)3)37-40(32,33)34)23(2)9-8-16(36-39(29,30)31)11-15(23)12-20(22)25;;;/h14-22,25H,4-13H2,1-3H3,(H,26,27,28)(H,29,30,31)(H,32,33,34);;;/q;3*+1/p-3/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23+,24-;;;/m1.../s1

IUPAC

[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-bis(sodiooxysulfonyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentoxy]sulfonyloxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat