SpectraBase Spectrum ID |
2nCibouuGzw |
Name |
Spectinomycine |
CAS Registry Number |
1695-77-8 |
Classification |
Pharmaceutical drug, aminoglycoside antibiotic |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
332.158351114 u |
Formula |
C14H24N2O7 |
InChI |
InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3 |
InChIKey |
UNFWWIHTNXNPBV-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
332.353 g/mol |
Nominal Mass |
332 u |
Quality |
878 |
SMILES |
OC1C(C(C(C2C1OC1C(O2)(C(CC(O1)C)=O)O)NC)O)NC |
SPLASH |
splash10-0072-8920000000-7b3b186f1120b9b77d14 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-\rbis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one |
Technique |
DI/MS |
Wiley ID |
DD2024_003908 |