Analyte Name

Petromyzonol 12,24-Disulfate Disodium Salt

Molecular Formula

C24H40Na2O10S2

Molecular Weight

598.68

Accurate Mass

598.19

SMILES

O[C@@H]1C[C@@]2([H])C[C@H](O)CC[C@]2(C)[C@]3([H])[C@]1([H])[C@@]4([H])[C@]([C@@](CC4)([H])[C@H](C)CCCOS(=O)(O[Na])=O)(C)[C@@H](OS(=O)(O[Na])=O)C3

InChI

InChI=1S/C24H42O10S2.2Na/c1-14(5-4-10-33-35(27,28)29)17-6-7-18-22-19(13-21(24(17,18)3)34-36(30,31)32)23(2)9-8-16(25)11-15(23)12-20(22)26;;/h14-22,25-26H,4-13H2,1-3H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2/t14?,15-,16-,17-,18+,19+,20-,21?,22+,23?,24?;;/m1../s1

IUPAC

sodium (3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-17-((R)-5-(sulfonatooxy)pentan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-12-yl sulfate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat