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Substance Name: 3C-O-demethyl-20-deoxo-20-phenoxy-tylosin
RN: 91662-23-6
InChIKey: XCXVEDQZWPFTRN-PBKRHZJDSA-N

Molecular Formula

  • C52-H83-N-O17

Molecular Weight

  • 994.2177
 
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Names and Synonyms

Synonym

  • 20-Dihydro-20-O-phenyl macrocin

Systematic Name

  • 3C-O-demethyl-20-deoxo-20-phenoxy-tylosin

Registry Numbers

CAS Registry Number

  • 91662-23-6

System Generated Number

  • 0091662236

Structure Descriptors

InChI

1S/C52H83NO17/c1-13-39-35(27-64-51-48(62-12)47(61-11)43(57)31(5)66-51)23-28(2)19-20-37(54)29(3)24-34(21-22-63-36-17-15-14-16-18-36)45(30(4)38(55)25-40(56)68-39)70-50-44(58)42(53(9)10)46(32(6)67-50)69-41-26-52(8,60)49(59)33(7)65-41/h14-20,23,29-35,38-39,41-51,55,57-60H,13,21-22,24-27H2,1-12H3/b20-19+,28-23+/t29-,30+,31-,32-,33+,34+,35-,38-,39-,41+,42-,43-,44-,45-,46+,47-,48-,49+,50+,51?,52-/m1/s1

InChIKey

XCXVEDQZWPFTRN-PBKRHZJDSA-N

Smiles

CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CCOc4ccccc4)C)\C)COC5[C@@H]([C@@H]([C@@H]([C@H](O5)C)O)OC)OC