| SpectraBase Spectrum ID |
8FTI63hEqmm |
| Name |
Erythromycin |
| CAS Registry Number |
114-07-8 |
| Classification |
Pharmaceutical drug, antibiotic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
733.461241208 u |
| Formula |
C37H67NO13 |
| 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-/m0/s1 |
| InChIKey |
ULGZDMOVFRHVEP-LNPIRXGESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
733.937 g/mol |
| Nominal Mass |
733 u |
| Quality |
954 |
| Retention Index |
5337 |
| SMILES |
O[C@@]1([C@@](C[C@@](O[C@@]2([C@@]([C@@]([C@@](C[C@@](C([C@]([C@]([C@](C(OC([C@@]2(C)[H])=O)CC)(O)C)(O)[H])(C)[H])=O)(C)[H])(O)C)(O[C@]2([C@@]([C@](C[C@](O2)(C)[H])(N(C)C)[H])(O)[H])[H])[H])(C)[H])[H])(O[C@]1(C)[H])[H])(OC)C)[H] |
| SPLASH |
splash10-0a4i-4900000000-3a20bf38b99632cb1fab |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-hydroxy-6-methyl-\roxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-\r2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001328 |
