CAS 63409-12-1 Tylvalosin (>90%) - Analytical Products / Alfa Chemistry

CAT	APS63409121
CAS	63409-12-1
Structure
IUPAC Name	[(2S,3S,4R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-acetyloxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-6-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
Molecular Weight	1042.25
Molecular Formula	C53H87NO19
Canonical SMILES	CC[C@H]1OC(=O)C[C@@H](OC(=O)C)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(=C\[C@@H]1CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]4OC)\C
InChI	InChI=1S/C53H87NO19/c1-16-38-36(26-65-51-49(64-15)48(63-14)45(61)32(8)67-51)22-28(4)17-18-37(57)29(5)23-35(19-20-55)46(30(6)39(69-34(10)56)24-41(59)70-38)73-52-47(43(54(12)13)44(60)31(7)68-52)72-42-25-53(11,62)50(33(9)66-42)71-40(58)21-27(2)3/h17-18,20,22,27,29-33,35-36,38-39,42-52,60-62H,16,19,21,23-26H2,1-15H3/b18-17+,28-22+/t29-,30+,31-,32-,33+,35+,36-,38-,39-,42+,43+,44-,45-,46-,47-,48-,49-,50+,51-,52+,53-/m1/s1