| SpectraBase Spectrum ID |
JHKcKVrKSqe |
| Name |
Tiamulin |
| Classification |
Pharmaceutical drug, antibiotic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
493.322580167 u |
| Formula |
C28H47NO4S |
| InChI |
InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1 |
| InChIKey |
UURAUHCOJAIIRQ-QGLSALSOSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
493.747 g/mol |
| Nominal Mass |
493 u |
| Quality |
1000 |
| Retention Index |
3624 |
| SMILES |
O[C@]1([C@@]([C@@]23[C@]([C@]([C@@](C[C@]1(C=C)C)(OC(CSCCN(CC)CC)=O)[H])([C@@](CC3)(C)[H])C)(C(CC2)=O)[H])(C)[H])[H] |
| SPLASH |
splash10-000i-9400000000-3ffc36242f21164840f3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5].4.3.01,8]tetradec-6-yl-([2-etradec-6-yl-\r([2-(diethylamino))ethyl]sulfanyl)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026585 |
