Analyte Name

18-Deoxo-9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-3-O-methylleucomycin V

CAS Number

177584-14-4

Molecular Formula

C43 H76 N2 O13

Molecular Weight

829.07

Accurate Mass

828.5347

SMILES

CC[C@H]1C[C@@H](C)[C@@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@H]1O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](O)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C

InChI

InChI=1S/C43H76N2O13/c1-13-29-21-24(2)32(56-34-20-19-30(44(8)9)26(4)53-34)18-16-14-15-17-25(3)52-33(47)22-31(46)40(51-12)39(29)58-42-37(48)36(45(10)11)38(27(5)55-42)57-35-23-43(7,50)41(49)28(6)54-35/h14-16,18,24-32,34-42,46,48-50H,13,17,19-23H2,1-12H3/b15-14+,18-16+/t24-,25-,26-,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1

IUPAC

(4R,5S,6S,7S,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-7-ethyl-4-hydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Spiramycin