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Molecule

Erythromycin

CAS: 114-07-8 · C37H67NO13

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
114-07-8
Molecular Formula
C37H67NO13
Molecular Mass
733.94 g/mol

Identifiers

CAS Registry Number

114-07-8

SMILES

CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O

InChI Key

ULGZDMOVFRHVEP-RWJQBGPGSA-N

InChI

InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1

Names and Synonyms

  • Erythromycin Synonym
  • Erythromycin Synonym
  • Erythromycin A Synonym
  • Oxacyclotetradecane, erythromycin deriv. Synonym
  • Dotycin Synonym
  • Erycin Synonym
  • Erythrocin Synonym
  • Erythrogran Synonym
  • Pantomicina Synonym
  • Oxacyclotetradecane-2,10-dione, 4-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, [3R-(3R*,4S*,5S*,6R*,7R*,9R*,11R*,12R*,13S*,14R*)]- Synonym
  • Erycinum Synonym
  • Abboticin Synonym
  • Ilotycin Synonym
  • [3R-(3R*,4S*,5S*,6R*,7R*,9R*,11R*,12R*,13S*,14R*)]-4-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]oxacyclotetradecane-2,10-dione Synonym
  • E-Mycin Synonym
  • Erytab Synonym
  • Erycette Synonym
  • Theramycin Z Synonym
  • T-Stat Synonym
  • Emgel Synonym
  • Erythromast 36 Synonym
  • Erythromid Synonym
  • Erymax Synonym
  • Abomacetin Synonym
  • Erycen Synonym
  • ERYC Synonym
  • Retcin Synonym
  • Staticin Synonym
  • PCE Synonym
  • Aknin Synonym
  • Inderm Synonym
  • Ak-Mycin Synonym
  • Ermycin Synonym
  • Erygel Synonym
  • EMU Synonym
  • Torlamicina Synonym
  • E-Base Synonym
  • Erythro Synonym
  • Stiemycin Synonym
  • EryDerm Synonym
  • NSC 55929 Synonym
  • Vetwic Synonym
  • Eritrex Synonym
  • Eritromed Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 733.94 g/mol CAS Common Chemistry
733.9370000000002 g/mol RDKit
733.937 g/mol RDKit
Canonical SMILES O=C1OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(OC3OC(C)C(O)C(OC)(C)C3)C1C)C CAS Common Chemistry
InChI InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 CAS Common Chemistry
InChI Key InChIKey=ULGZDMOVFRHVEP-RWJQBGPGSA-N CAS Common Chemistry
Melting Point 40-135 °C CAS Common Chemistry
Name Erythromycin CAS Common Chemistry
Heavy Atom Count 51 RDKit
Hydrogen Bond Acceptors 14 RDKit
Hydrogen Bond Donors 5 RDKit
Rotatable Bonds 7 RDKit
Aromatic Ring Count 0 RDKit
Topological Polar Surface Area 193.91 Ų RDKit
193.68 Ų chempirical lib
LogP 1.785600000000004 RDKit
1.7856 RDKit
Molar Refractivity 186.25799999999953 cm³/mol RDKit
Ring Count 3 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.9459 RDKit
0.95 chempirical lib
Exact Mass 733.4612412040001 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 733.94 g/mol. Edit any field — others recompute live.

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