chempirical

Josamycin

C42H69NO15CAS 16846-24-5828.01 g/mol

Open in Covalent MOL file
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AcetalAlcoholAldehydeAlkeneEsterEtherLactoneTertiary amine

Properties

Molecular formula
C42H69NO15
Molar mass
828.01 g/mol
Exact mass
827.4667 Da
Melting point
131.5 °C
logP
3.01Crippen estimate
Polar surface area
206.1 Ų
H-bond donors / acceptors
3 / 16
Rotatable bonds
12
Stereocentres
S, S, S, R, S, S, R, S, S, R, R, R, R, R, R, Rin SMILES atom order
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
16846-24-5
SMILES
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
InChIKey
XJSFLOJWULLJQS-NGVXBBESSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • Leucomycin V, 3-acetate 4B-(3-methylbutanoate)
  • Josacine
  • Vilprafen
  • Jomybel
  • Iosalide
  • EN 141
  • Josamina
  • Leucomycin A3
  • Oxacyclohexadecane, leucomycin V deriv.
  • Antibiotic YL 704A3
  • Turimycin A5
  • Kitasamycin A3
  • Wilprafen

Work with Josamycin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Midecamycin A135457-80-884 % similar Leucomycin1392-21-874 % similar Spiramycin ii24916-51-673 % similar Tylosin1401-69-044 % similar Tylosin tartrate74610-55-243 % similar Tylosin phosphate1405-53-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook