Analyte Name

Deacetylfusidic Acid 21,16-Lactone

CAS Number

4701-54-6

Molecular Formula

C29 H44 O4

Molecular Weight

456.6573

Accurate Mass

456.324

SMILES

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]4C5=C(CCC=C(C)C)C(=O)O[C@H]5C[C@]34C

InChI

InChI=1S/C29H44O4/c1-16(2)8-7-9-18-24-20-14-22(31)25-27(4)12-11-21(30)17(3)19(27)10-13-28(25,5)29(20,6)15-23(24)33-26(18)32/h8,17,19-23,25,30-31H,7,9-15H2,1-6H3/t17-,19-,20-,21+,22+,23-,25-,27-,28-,29-/m0/s1

IUPAC

(1S,2S,4S,9R,11R,12S,13S,16R,17S,18S)-11,16-dihydroxy-1,2,13,17-tetramethyl-7-(4-methylpent-3-enyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-7-en-6-one

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat