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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 Weight: 733.9370000000002 g/mol

Names and Synonyms:

Erythromycin
Erythromycin
Erythromycin A
Oxacyclotetradecane, erythromycin deriv.
Dotycin
Erycin
Erythrocin
Erythrogran
Pantomicina
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*)]-
Erycinum
Abboticin
Ilotycin
[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
E-Mycin
Erytab
Erycette
Theramycin Z
T-Stat
Emgel
Erythromast 36
Erythromid
Erymax
Abomacetin
Erycen
ERYC
Retcin
Staticin
PCE
Aknin
Inderm
Ak-Mycin
Ermycin
Erygel
EMU
Torlamicina
E-Base
Erythro
Stiemycin
EryDerm
NSC 55929
Vetwic
Eritrex
Eritromed

Identifiers:

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:
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

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

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

External Resources

All Properties

Comprehensive physical and chemical properties

Category Property Value Source
Physical Properties molecular_mass 733.94 g/mol Legacy Database
cas-canonical-smile 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 Legacy Database
cas-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 Legacy Database
cas-inchi-key InChIKey=ULGZDMOVFRHVEP-RWJQBGPGSA-N Legacy Database
cas-melting-point 40-135 °C Legacy Database
cas-name Erythromycin Legacy Database
LogP 1.785600000000004 RDKit
Molecular Molecular Weight 733.9370000000002 g/mol RDKit
Exact Exact Molecular Weight 733.4612412040001 g/mol RDKit
Heavy Heavy Atom Count 51 count RDKit
Hydrogen Hydrogen Bond Acceptors 14 count RDKit
Hydrogen Bond Donors 5 count RDKit
Rotatable Rotatable Bonds 7 count RDKit
Aromatic Aromatic Ring Count 0 count RDKit
Topological Topological Polar Surface Area 193.91 Ų RDKit
Molar Molar Refractivity 186.25799999999953 RDKit

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