| SpectraBase Spectrum ID |
JLRNp5lzcsi |
| Name |
Clindamycine 3AC |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
550.211565090 u |
| Formula |
C24H39ClN2O8S |
| InChI |
InChI=1S/C24H39ClN2O8S/c1-8-9-16-10-17(27(6)11-16)23(31)26-18(12(2)25)19-20(32-13(3)28)21(33-14(4)29)22(34-15(5)30)24(35-19)36-7/h12,16-22,24H,8-11H2,1-7H3,(H,26,31)/t12?,16-,17+,18?,19-,20+,21+,22-,24-/m1/s1 |
| InChIKey |
UPDAHNDTZSNKSX-BSVASSRRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
551.095 g/mol |
| Nominal Mass |
550 u |
| Quality |
894 |
| Retention Index |
4056 |
| SMILES |
[C@@]1([C@@]([C@@]([C@]([C@](O1)(SC)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(C(NC([C@]1(N(C[C@@](C1)(CCC)[H])C)[H])=O)C(Cl)C)[H] |
| SPLASH |
splash10-00or-5930300000-40d198a3188cb356912d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2R,3R,4S,5S,6R)-4,5-bis(acetyloxy)-6-((1S)-2-chloro-1-((((2S,4R)-1-methyl-4-propylpyrrolidin-\r2-yl)carbonyl)amino)propyl)-2-methylthiooxan-3-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009181 |
