Analyte Name

Acetonide Clindamycin Palmitate

CAS Number

906126-31-6

Molecular Formula

C37H67ClN2O6S

Molecular Weight

703.46

Accurate Mass

702.44

SMILES

O=C([C@@H]1C[C@H](CN1C)CCC)N[C@@H]([C@]2([H])[C@@]3([H])[C@@](OC(C)(O3)C)([H])[C@H]([C@H](O2)SC)OC(CCCCCCCCCCCCCCC)=O)[C@@H](Cl)C

InChI

InChI=1S/C37H67ClN2O6S/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-23-29(41)43-34-33-32(45-37(4,5)46-33)31(44-36(34)47-7)30(26(3)38)39-35(42)28-24-27(22-9-2)25-40(28)6/h26-28,30-34,36H,8-25H2,1-7H3,(H,39,42)/t26-,27+,28-,30+,31+,32-,33-,34+,36+/m0/s1

IUPAC

(3aS,4R,6R,7R,7aS)-4-((1S,2S)-2-chloro-1-((2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamido)propyl)-2,2-dimethyl-6-(methylthio)tetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-7-yl palmitate

Country of Origin

CANADA

Product Format

Neat