Analyte Name

Deacetylfusidic Acid Sodium Salt

CAS Number

55601-53-1

Molecular Formula

C29 H45 O5 . Na

Molecular Weight

496.6544

Accurate Mass

496.3165

SMILES

[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]4\C(=C(/CCC=C(C)C)\C(=O)[O-])\[C@@H](O)C[C@]34C

InChI

InChI=1S/C29H46O5.Na/c1-16(2)8-7-9-18(26(33)34)24-20-14-22(31)25-27(4)12-11-21(30)17(3)19(27)10-13-28(25,5)29(20,6)15-23(24)32;/h8,17,19-23,25,30-32H,7,9-15H2,1-6H3,(H,33,34);/q;+1/p-1/b24-18-;/t17-,19-,20-,21+,22+,23-,25-,27-,28-,29-;/m0./s1

IUPAC

sodium;(2Z)-6-methyl-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-3,11,16-trihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hept-5-enoate

Alternate CAS Number

13090-91-0

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Fusidic Acid