Cbz Protected-​ketone ​Bis TFA Salt

Analyte Name

Cbz Protected-ketone Bis TFA Salt

CAS Number

1210740-88-7

Molecular Formula

C45H74N2O14 • 2C2HF3O2

Molecular Weight

1095.13

Accurate Mass

1094.49

SMILES

OC(C(F)(F)F)=O.O=C(OCC1=CC=CC=C1)O[C@H]([C@H](C[C@H](O2)C)N(C)C)[C@@H]2O[C@@H]3[C@H]([C@@H]([C@H](C(O[C@@H]([C@@](O)([C@@H]([C@H](NC[C@@H](C[C@]3(O)C)C)C)O)C)CC)=O)C)O[C@H]4C[C@](C)(C([C@@H](O4)C)=O)OC)C.OC(C(F)(F)F)=O

InChI

InChI=1S/C45H74N2O14.2C2HF3O2/c1-14-33-45(10,53)37(48)29(6)46-23-25(2)21-43(8,52)39(27(4)35(28(5)40(50)58-33)59-34-22-44(9,54-13)38(49)30(7)57-34)61-41-36(32(47(11)12)20-26(3)56-41)60-42(51)55-24-31-18-16-15-17-19-31;2*3-2(4,5)1(6)7/h15-19,25-30,32-37,39,41,46,48,52-53H,14,20-24H2,1-13H3;2*(H,6,7)/t25-,26-,27+,28-,29-,30+,32+,33-,34+,35+,36-,37-,39-,41+,43-,44-,45-;;/m1../s1

IUPAC

benzyl ((2S,3R,4S,6R)-4-(dimethylamino)-2-(((2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-(((2R,4R,6S)-4-methoxy-4,6-dimethyl-5-oxotetrahydro-2H-pyran-2-yl)oxy)-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl)oxy)-6-methyltetrahydro-2H-pyran-3-yl) carbonate 2,2,2-trifluoroacetate

Alternate CAS Number

371193-61-2

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat