Tylvalosin

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Systematic / IUPAC Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-{[(6-Deoxy-2,3-di-O-methyl-β-D-allopyranosyl)oxy]methyl}-6-({3,6-dideoxy-4-O-[2,6-dideoxy-3-C-methyl-4-O-(3-methylbutanoyl)-α-L-ribo-hexopyranosyl]-3-(dimethylamino)-β-D-glucopyranosyl}oxy)-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl acetate

ID: Reference4888

Other Names: 3-Acetyl-4''-isovaleryltylosin;
Aivlosin ;
Tylosin, 3-acetate 4B-(3-methylbutanoate)

Formula: C53H87NO19

Class: Therapeutics/Prescription Drugs Endogenous Metabolites

Spectral Data

Tylvalosin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 284
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/8/2018 2:58:04 PM
View Mass Spec Data > >

Identificators

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
InChI Key KCJJINQANFZSAM-HZDSEHBESA-N
Canonical SMILES CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)OC(=O)C)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC
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Other Names 3-Acetyl-4''-isovaleryltylosin;
Aivlosin ;
Tylosin, 3-acetate 4B-(3-methylbutanoate)

In Other Databases

PubChem 6441094
ChemIDPlus 063409121
KEGG D10032
ChEMBL CHEMBL2103834
ChemSpider 4945313