Tylvalosin

CAS Registry Number®

63409-12-1

CAS Name

Tylvalosin

Molecular Formula

C53H87NO19

Molecular Mass

1042.25

Cite this Page

Tylvalosin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63409-12-1 (retrieved 2024-11-23) (CAS RN: 63409-12-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H87NO19/c1-16-38-36(26-65-52-49(64-15)48(63-14)44(60)31(7)67-52)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)73-51-45(61)43(54(12)13)47(32(8)68-51)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

InChIKey

InChIKey=KCJJINQANFZSAM-HZDSEHBESA-N

SMILES

O([C@H]1[C@H](N(C)C)[C@@H](O)[C@H](O[C@H]2[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(/C)=C/[C@H](CO[C@H]3[C@H](OC)[C@H](OC)[C@H](O)[C@@H](C)O3)[C@@H](CC)OC(=O)C[C@@H](OC(C)=O)[C@@H]2C)O[C@@H]1C)[C@H]4C[C@@](C)(O)[C@@H](OC(CC(C)C)=O)[C@H](C)O4

Canonical SMILES

O=CCC1CC(C(=O)C=CC(=CC(COC2OC(C)C(O)C(OC)C2OC)C(OC(=O)CC(OC(=O)C)C(C)C1OC3OC(C)C(OC4OC(C)C(OC(=O)CC(C)C)C(O)(C)C4)C(N(C)C)C3O)CC)C)C

Other Names for this Substance

  • Tylosin, 3-acetate 4B-(3-methylbutanoate)
  • Oxacyclohexadecane, tylosin deriv.
  • 3-O-Acetyl-4′′-O-isovaleryltylosin
  • Tylvalosin
  • Acetylisovaleryltylosin

CAS INSIGHTSTM
Hourglass and a clock