Fusidic Acid Acyl beta-D-Glucuronide

Analyte Name

Fusidic Acid Acyl beta-D-Glucuronide

CAS Number

13013-66-6

Molecular Formula

C37 H56 O12

Molecular Weight

692.833

Accurate Mass

692.377

SMILES

C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]4\C(=C(/CCC=C(C)C)\C(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)\[C@H](C[C@]34C)OC(=O)C

InChI

InChI=1S/C37H56O12/c1-17(2)9-8-10-20(33(46)49-34-29(43)27(41)28(42)30(48-34)32(44)45)26-22-15-24(40)31-35(5)13-12-23(39)18(3)21(35)11-14-36(31,6)37(22,7)16-25(26)47-19(4)38/h9,18,21-25,27-31,34,39-43H,8,10-16H2,1-7H3,(H,44,45)/b26-20-/t18-,21?,22-,23+,24+,25-,27-,28-,29+,30-,31-,34-,35-,36-,37-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[(2Z)-2-[(3R,4S,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-enoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat