3-O-Acetyltylosin

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Systematic / IUPAC Name: (11E,13E)-15-{[(6-Deoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl}-6-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methylhexopyranosyl)-3-(dimethylamino)hexopyranosyl]oxy}-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl acetate

ID: Reference4885

Other Names: 3-Acetyl tylosin;
Oxacyclohexadeca-11,13-diene-7-acetaldehyde, 4-(acetyloxy)-15-{[(6-deoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl}-6-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methylhexopyranosyl)-3-(dimethylamino)hexopyranosyl]oxy}-16-ethyl-5,9,13-trimethyl-2,10-dioxo, (11E,13E)-

Formula: C48H79NO18

Class: Endogenous Metabolites

Spectral Data

3-O-Acetyltylosin 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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/20/2016 7:19:08 AM
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Identificators

InChI InChI=1S/C48H79NO18/c1-14-34-32(23-60-47-44(59-13)43(58-12)39(54)27(5)62-47)19-24(2)15-16-33(52)25(3)20-31(17-18-50)41(26(4)35(64-30(8)51)21-36(53)65-34)67-46-40(55)38(49(10)11)42(28(6)63-46)66-37-22-48(9,57)45(56)29(7)61-37/h15-16,18-19,25-29,31-32,34-35,37-47,54-57H,14,17,20-23H2,1-13H3/b16-15+,24-19+
InChI Key SXJMWODQOMKONK-LQTDYXTMSA-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)O)(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 tylosin;
Oxacyclohexadeca-11,13-diene-7-acetaldehyde, 4-(acetyloxy)-15-{[(6-deoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl}-6-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methylhexopyranosyl)-3-(dimethylamino)hexopyranosyl]oxy}-16-ethyl-5,9,13-trimethyl-2,10-dioxo, (11E,13E)-

In Other Databases

ChemSpider 4932047
PubChem 6426606