Analyte Name

Fusidic Acid-13C3

Molecular Formula

13C3 C28 H48 O6

Molecular Weight

519.687

Accurate Mass

519.355

SMILES

[13CH3][13C](=CCC\C(=C/1\[C@H](C[C@@]2(C)[C@H]1C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@]23C)OC(=O)C)\C(=O)O)[13CH3]

InChI

InChI=1S/C31H48O6/c1-17(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/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1/i1+1,2+1,17+1

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-(113C)methyl(6,7-13C2)hept-5-enoic acid

Unlabelled CAS Number

6990-06-3

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat