| SpectraBase Spectrum ID |
8J1eRiv0Ta4 |
| Name |
Clarithromycine |
| CAS Registry Number |
81103-11-9 |
| Classification |
Pharmaceutical drug, makrolid antibiotic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
747.476891273 u |
| Formula |
C38H69NO13 |
| InChI |
InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20+,21+,22-,23+,24-,25-,26?,27+,29+,30+,31+,32-,33-,35-,36+,37+,38-/m0/s1 |
| InChIKey |
AGOYDEPGAOXOCK-RNHXHMGOSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
747.964 g/mol |
| Nominal Mass |
747 u |
| Quality |
952 |
| SMILES |
O[C@]1([C@](C(OC([C@@]([C@@]([C@@]([C@@]([C@@](C[C@@](C([C@]1(C)[H])=O)(C)[H])(OC)C)(O[C@]1([C@@]([C@](C[C@](O1)(C)[H])(N(C)C)[H])(O)[H])[H])[H])(C)[H])(O[C@@]1(C[C@]([C@]([C@@](O1)(C)[H])(O)[H])(OC)C)[H])[H])(C)[H])=O)CC)(O)C)[H] |
| SPLASH |
splash10-0a4i-3900000000-1587ed734e26b91d66b3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-(4-Dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-\rethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-7-methoxy-\r3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione |
| Technique |
DI/MS |
| Wiley ID |
DD2024_000722 |
