chempirical

Natamycin

C33H47NO13CAS 7681-93-8665.73 g/mol

Open in Covalent MOL file
OOHONH2OHOOHOHOOOOHOOH
AcetalAlcoholAlkeneCarboxylic acidEpoxideEsterEtherLactonePrimary amine

Properties

Molecular formula
C33H47NO13
Molar mass
665.73 g/mol
Exact mass
665.3047 Da
Melting point
290 °C (decomposes)
logP
0.12Crippen estimate
Polar surface area
231.0 Ų
H-bond donors / acceptors
7 / 13
Rotatable bonds
3
Stereocentres
R, R, R, R, S, S, S, S, R, S, R, R, S, Rin SMILES atom order
Double bonds
E, E, E, E, EE/Z, in SMILES order

Identifiers

CAS number
7681-93-8
SMILES
C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O
InChIKey
NCXMLFZGDNKEPB-FFPOYIOWSA-N
InChI
InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32+,33-/m1/s1

Weigh it out

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

Names and synonyms

23 names · show all
  • 6,11,28-Trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid, 22-[(3-amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-, (1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-
  • Pimaricin
  • 6,11,28-Trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid, 22-[(3-amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-, [1R-(1R*,3S*,5R*,7R*,8E,12R*,14E,16E,18E,20E,22R*,24S*,25R*,26S*)]-
  • Tennecetin
  • 6,11,28-Trioxatricyclo[22.3.1.05,7]octacosane, pimaricin deriv.
  • (1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[(3-Amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid
  • Myprozine
  • Pimafucin
  • [1R-(1R*,3S*,5R*,7R*,8E,12R*,14E,16E,18E,20E,22R*,24S*,25R*,26S*)]-22-[(3-Amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid
  • δ-Natamycin
  • Myuprozine
  • CL 12625
  • Antibiotic A 5283
  • Synogil
  • Natacyn
  • Mycophyt
  • E 235
  • Natamax lactose
  • Natamax SF
  • Natamax
  • Delvocid
  • Natajen
  • Natamatrix

Work with Natamycin

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

Fungizone1397-89-362 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook