chempirical

Midecamycin A1

C41H67NO15CAS 35457-80-8813.98 g/mol

Open in Covalent MOL file
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AcetalAlcoholAldehydeAlkeneEsterEtherLactoneTertiary amine

Properties

Molecular formula
C41H67NO15
Molar mass
813.98 g/mol
Exact mass
813.4511 Da
Melting point
155–156 °C
logP
2.77Crippen estimate
Polar surface area
206.1 Ų
H-bond donors / acceptors
3 / 16
Rotatable bonds
12
Stereocentres
R, R, R, R, R, S, S, R, S, S, R, S, S, R, R, Sin SMILES atom order
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
35457-80-8
SMILES
CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H]1OC
InChIKey
DMUAPQTXSSNEDD-QALJCMCCSA-N
InChI
InChI=1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25-,26+,27+,28+,29-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1

Weigh it out

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

Names and synonyms

25 names · show all
  • Leucomycin V, 3,4B-dipropanoate
  • Oxacyclohexadecane, leucomycin V deriv.
  • Antibiotic SF 837
  • SF 837
  • Mydecamycin
  • YL 704B1
  • Midecamycin
  • Medemycin
  • Antibiotic YL 704B1
  • Turimycin P3
  • Antibiotic SF 837A1
  • Platenomycin B1
  • Medecamycin A1
  • SF 837A1
  • Medemycin A1
  • Mydecamycin A1
  • Espinomycin A
  • Aboren
  • Midecin
  • Myoxam
  • Normicina
  • Rubimycin
  • Momicine
  • NSC 154011
  • Macropen

Work with Midecamycin A1

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

Josamycin16846-24-584 % similar Leucomycin1392-21-877 % similar Spiramycin ii24916-51-667 % similar Tylosin1401-69-048 % similar Tylosin phosphate1405-53-446 % similar Tylosin tartrate74610-55-246 % similar Tilmicosin108050-54-031 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook