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Clindamycin-M (nor-) 4AC
SpectraBase Compound ID 3gLl023jIqW
InChI InChI=1S/C25H39ClN2O9S/c1-8-9-17-10-18(28(11-17)13(3)29)24(33)27-19(12(2)26)20-21(34-14(4)30)22(35-15(5)31)23(36-16(6)32)25(37-20)38-7/h12,17-23,25H,8-11H2,1-7H3,(H,27,33)
InChIKey ZGYDCEVBOHFTSG-UHFFFAOYSA-N
Mol Weight 579.1 g/mol
Molecular Formula C25H39ClN2O9S
Exact Mass 578.20648 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7AgW11DtpZJ
Name Clindamycin-M (nor-) 4AC
Classification Antibiotic
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Exact Mass 578.206479709 u
Formula C25H39ClN2O9S
InChI InChI=1S/C25H39ClN2O9S/c1-8-9-17-10-18(28(11-17)13(3)29)24(33)27-19(12(2)26)20-21(34-14(4)30)22(35-15(5)31)23(36-16(6)32)25(37-20)38-7/h12,17-23,25H,8-11H2,1-7H3,(H,27,33)
InChIKey ZGYDCEVBOHFTSG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 579.105 g/mol
SMILES C1(C(C(C(OC(=O)C)C(O1)SC)OC(=O)C)OC(=O)C)C(NC(C1N(C(=O)C)CC(C1)CCC)=O)C(Cl)C
SPLASH splash10-0w29-1900410000-fc8edd58b95a47367407
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_4480