Tilmicosin

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Systematic / IUPAC Name: {(4E,6E)-12-{[3,6-Dideoxy-3-(dimethylamino)hexopyranosyl]oxy}-11-[2-(3,5-dimethyl-1-piperidinyl)ethyl]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxooxacyclohexadeca-4,6-dien-3-yl}methyl 6-deoxy-2,3-di-O-methylhexopyranoside

ID: Reference714

Other Names: Micotil

Formula: C46H80N2O13

Class: Therapeutics/Prescription Drugs

Spectral Data

Tilmicosin 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 Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 333
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 2/26/2015 2:41:30 PM
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Identificators

InChI InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1
InChI Key JTSDBFGMPLKDCD-XVFHVFLVSA-N
Canonical SMILES CCC1C(/C=C(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)\C)COC4C(C(C(C(O4)C)O)OC)OC
CAS 108050540
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Other Names Micotil

In Other Databases

PubChem 5282521
ChemSpider 4445656
ChEMBL CHEMBL1908333
Wikipedia Tilmicosin
KEGG D02492