Analyte Name

Petromyzonol-24-Sulfate, Sodium Salt

CAS Number

1379583-33-1

Molecular Formula

C24 H41 O7 S . Na

Molecular Weight

496.63

Accurate Mass

496.2471

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)([C@@H](O)C3)[C@@]([C@@H](CCCOS(=O)(=O)O)C)(CC4)[H])[H])([C@H](O)C[C@]1(C[C@H](O)CC2)[H])[H])[H].[Na]

InChI

InChI=1S/C24H42O7S.Na/c1-14(5-4-10-31-32(28,29)30)17-6-7-18-22-19(13-21(27)24(17,18)3)23(2)9-8-16(25)11-15(23)12-20(22)26;/h14-22,25-27H,4-13H2,1-3H3,(H,28,29,30);/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23+,24-;/m1./s1

IUPAC

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

Alternate CAS Number

20311-93-7

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat