Analyte Name

Fusidic acid hemihydrate

CAS Number

172343-30-5

Molecular Formula

2 C31 H48 O6 . H2 O

Molecular Weight

1051.43

Accurate Mass

1050.7007

SMILES

O.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](C[C@]34C)OC(=O)C.C[C@@H]5[C@H](O)CC[C@@]6(C)[C@H]5CC[C@@]7(C)[C@H]6[C@H](O)C[C@H]8\C(=C(/CCC=C(C)C)\C(=O)O)\[C@H](C[C@]78C)OC(=O)C

InChI

InChI=1S/2C31H48O6.H2O/c2*1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32;/h2*9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36);1H2/b2*26-20-;/t2*18-,21-,22-,23+,24+,25-,27-,29-,30-,31-;/m00./s1

IUPAC

(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid;hydrate

Storage Temperature

+5°C

Shipping Temperature

Room Temperature

Country of Origin

GERMANY

Product Type

API

Product Format

Neat

API Family

Fusidic Acid