chempirical

Eprinomectin

C49H73NO14CAS 123997-26-2900.12 g/mol

Open in Covalent MOL file
OOHOOOOOOHNOOOOOOH
AcetalAlcoholAlkeneAmideEsterEtherLactone

Properties

Molecular formula
C49H73NO14
Molar mass
900.12 g/mol
Exact mass
899.5031 Da
logP
5.13Crippen estimate
Polar surface area
178.9 Ų
H-bond donors / acceptors
3 / 14
Rotatable bonds
8
Stereocentres
S, R, S, R, R, S, R, S, R, S, R, S, S, R, R, S, S, S, Rin SMILES atom order
Double bonds
Z, Z, ZE/Z, in SMILES order

Identifiers

CAS number
123997-26-2
SMILES
C[C@H]1/C=C\C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(\[C@H]1O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@H]([C@@H]([C@@H](O6)C)NC(=O)C)OC)OC)/C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O
InChIKey
WPNHOHPRXXCPRA-TVXIRPTOSA-N
InChI
InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12-,27-15-,33-14-/t26-,28-,30-,31-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,48+,49+/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • Avermectin B1, 4′′-(acetylamino)-4′′-deoxy-, (4′′R)-
  • MK 397
  • Eprinex
  • Ivomec eprinex
  • Longrange

Work with Eprinomectin

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

Emamectin119791-41-280 % similar Doramectin117704-25-377 % similar Avermectin B1A65195-55-377 % similar Selamectin220119-17-550 % similar Moxidectin113507-06-541 % similar Milbemycin oxime129496-10-232 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook