Josamycin

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Systematic / IUPAC Name: (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-Acetoxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate

ID: Reference5193

Other Names: Josacine;
Josamicina;
Josamycine;
Josamycinum;
Kitasamycin A3 ; more

Formula: C42H69NO15

Class: Therapeutics/Prescription Drugs

Spectral Data

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

View Mass Spectra

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 8/1/2016 11:23:22 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1
InChI Key XJSFLOJWULLJQS-NGVXBBESSA-N
Canonical SMILES CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)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)O
CAS 16846245
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Other Names Josacine;
Josamicina;
Josamycine;
Josamycinum;
Kitasamycin A3;
Leucomycin A3;
Turimycin A5;
(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-(Acetyloxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoate;
[(2S,3S,4R,6S)-6-((2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-Acetoxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl)oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 3-methylbutanoate ;
6-{6-[3-Acetyloxy-13-hydroxy-2-methoxy-7,14-dimethyl-6-oxa-5-oxo-16-(2-oxoethyl)cyclohexadeca-9,11-dienyloxy]-4-(dimethylamino)-5-hydroxy-2-methylperhydro-2H-pyran-3-yloxy}-4-hydroxy-2,4-dimethylperhydro-2H-pyran-3-yl 3-methylbutanoate;
Leucomycin V 3-acetate 4(β)-(3-methylbutanoate);
Leucomycin V 3-acetate 4(b)-(3-methylbutanoate) ;
Leucomycin V 3-acetate 4b-(3-methylbutanoate);
Leucomycin V, 3-acetate 4(sup β)-(3-methylbutanoate);
Leucomycin V, 3-acetate 4(sup b)-(3-methylbutanoate) ;
Leucomycin V, 3-acetate 4β-(3-methylbutanoate)

In Other Databases

PubChem 5282165
DrugBank DB01321
ChEMBL CHEMBL224436
Wikipedia Josamycin; Josamycin (DE)
ChEBI CHEBI:31739
HMDb HMDB15418
ChemIDPlus 016846245
KEGG C12662; D01235
ChemSpider 4445361