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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:51 UTC
Update Date2022-03-07 02:51:50 UTC
HMDB IDHMDB0015055
Secondary Accession Numbers
  • HMDB15055
Metabolite Identification
Common NameSpectinomycin
DescriptionSpectinomycin, also known as antibiotic 2233WP or adspec, belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4. Spectinomycin is a drug which is used for use in the treatment of acute gonorrheal urethritis and proctitis in the male and acute gonorrheal cervicitis and proctitis in the female when due to susceptible strains of neisseria gonorrhoeae. In humans, spectinomycin is involved in the spectinomycin action pathway. Spectinomycin is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Spectinomycin.
Structure
Data?1582753252
Synonyms
ValueSource
Antibiotic 2233WPChEBI
EspectinomicinaChEBI
SpectinomycineChEBI
SpectinomycinumChEBI
AdspecKegg
ProspecKegg
SPCMHMDB
SCMHMDB
Spectinomycin hcl/ sulphateHMDB
KempiHMDB
Salmosan-THMDB
Spectam, ferkelHMDB
Spectinomycin hydrochlorideHMDB
TrobicinHMDB
Anhydrous spectinomycin dihydrochlorideHMDB
Aspen brand OF spectinomycin dihydrochlorideHMDB
Dihydrochloride, pharmacia spectinomycinHMDB
Osborn brand OF spectinomycin dihydrochlorideHMDB
Salmosan THMDB
Sanofi brand OF spectinomycin dihydrochlorideHMDB
Spectinomycin dihydrochloride, anhydrousHMDB
StaniloHMDB
CEVA brand OF spectinomycin dihydrochlorideHMDB
Ferkel spectamHMDB
Interpharm brand OF spectinomycin dihydrochlorideHMDB
Pharmacia brand OF spectinomycinHMDB
Pharmacia spain brand OF spectinomycin dihydrochlorideHMDB
Pharmacia spectinomycin dihydrochlorideHMDB
SpectamHMDB
Spectinomycin pharmacia brandHMDB
Spectinomycin valdar brandHMDB
Valdar brand OF spectinomycinHMDB
ActinospectacinHMDB
Chevita brand OF spectinomycin dihydrochlorideHMDB
Pharmacia brand OF spectinomycin dihydrochlorideHMDB
SalmosanTHMDB
Spectinomycin dihydrochloride, pentahydrateHMDB
Spectinomycin dihydrochloride, pharmaciaHMDB
Chemical FormulaC14H24N2O7
Average Molecular Weight332.3496
Monoisotopic Molecular Weight332.158351132
IUPAC Name(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0³,⁸]tetradecan-7-one
Traditional Nameprospec
CAS Registry Number1695-77-8
SMILES
[H][C@@]12O[C@H](C)CC(=O)[C@]1(O)O[C@]1([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]1([H])O2
InChI Identifier
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/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
InChI KeyUNFWWIHTNXNPBV-WXKVUWSESA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDioxanes
Sub Class1,4-dioxanes
Direct Parent1,4-dioxanes
Alternative Parents
Substituents
  • Para-dioxane
  • Oxane
  • Cyclic alcohol
  • 1,2-aminoalcohol
  • Secondary alcohol
  • Hemiacetal
  • Ketone
  • Acetal
  • Secondary aliphatic amine
  • Oxacycle
  • Secondary amine
  • Polyol
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Amine
  • Alcohol
  • Organopnictogen compound
  • Organic oxygen compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility150 g/LNot Available
LogP-2.3Not Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available174.288http://allccs.zhulab.cn/database/detail?ID=AllCCS00000996
Predicted Molecular Properties
PropertyValueSource
Water Solubility150 g/LALOGPS
logP-1.4ALOGPS
logP-2.4ChemAxon
logS-0.35ALOGPS
pKa (Strongest Acidic)8.58ChemAxon
pKa (Strongest Basic)9.4ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area129.51 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity75.44 m³·mol⁻¹ChemAxon
Polarizability33.39 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+176.98431661259
DarkChem[M-H]-172.77931661259
DeepCCS[M-2H]-203.61430932474
DeepCCS[M+Na]+178.09630932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Spectinomycin[H][C@@]12O[C@H](C)CC(=O)[C@]1(O)O[C@]1([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]1([H])O23190.3Standard polar33892256
Spectinomycin[H][C@@]12O[C@H](C)CC(=O)[C@]1(O)O[C@]1([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]1([H])O22559.5Standard non polar33892256
Spectinomycin[H][C@@]12O[C@H](C)CC(=O)[C@]1(O)O[C@]1([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]1([H])O22602.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Spectinomycin,1TMS,isomer #1CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O[Si](C)(C)C)O[C@H]122576.3Semi standard non polar33892256
Spectinomycin,1TMS,isomer #2CN[C@@H]1[C@H](O[Si](C)(C)C)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O2569.5Semi standard non polar33892256
Spectinomycin,1TMS,isomer #3CN[C@@H]1[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](NC)[C@@H]1O2573.8Semi standard non polar33892256
Spectinomycin,1TMS,isomer #4CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O)O[C@H]122505.9Semi standard non polar33892256
Spectinomycin,1TMS,isomer #5CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O2541.3Semi standard non polar33892256
Spectinomycin,1TMS,isomer #6CN[C@H]1[C@@H](O)[C@@H](N(C)[Si](C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]122545.0Semi standard non polar33892256
Spectinomycin,2TMS,isomer #1CN[C@@H]1[C@H](O[Si](C)(C)C)[C@H](NC)[C@H]2O[C@@]3(O[Si](C)(C)C)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O2615.2Semi standard non polar33892256
Spectinomycin,2TMS,isomer #10CN[C@@H]1[C@H]2O[C@@]3(O)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](NC)[C@@H]1O2531.0Semi standard non polar33892256
Spectinomycin,2TMS,isomer #11CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O[Si](C)(C)C2590.4Semi standard non polar33892256
Spectinomycin,2TMS,isomer #12CN[C@@H]1[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@@H]1O2599.3Semi standard non polar33892256
Spectinomycin,2TMS,isomer #13CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C)[C@H]2O[C@@]3(O)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O2543.6Semi standard non polar33892256
Spectinomycin,2TMS,isomer #14CN[C@H]1[C@@H](O)[C@@H](N(C)[Si](C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O)O[C@H]122551.8Semi standard non polar33892256
Spectinomycin,2TMS,isomer #15C[C@@H]1CC(=O)[C@]2(O)O[C@@H]3[C@@H](N(C)[Si](C)(C)C)[C@@H](O)[C@@H](N(C)[Si](C)(C)C)[C@H](O)[C@H]3O[C@@H]2O12614.7Semi standard non polar33892256
Spectinomycin,2TMS,isomer #2CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](NC)[C@@H]1O2609.8Semi standard non polar33892256
Spectinomycin,2TMS,isomer #3CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)O[C@H]122562.4Semi standard non polar33892256
Spectinomycin,2TMS,isomer #4CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C)[C@H]2O[C@@]3(O[Si](C)(C)C)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O2600.7Semi standard non polar33892256
Spectinomycin,2TMS,isomer #5CN[C@H]1[C@@H](O)[C@@H](N(C)[Si](C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O[Si](C)(C)C)O[C@H]122599.7Semi standard non polar33892256
Spectinomycin,2TMS,isomer #6CN[C@H]1[C@H](O[Si](C)(C)C)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@@H]2[C@@H](NC)[C@H]1O[Si](C)(C)C2586.4Semi standard non polar33892256
Spectinomycin,2TMS,isomer #7CN[C@@H]1[C@H](O[Si](C)(C)C)[C@H](NC)[C@H]2O[C@@]3(O)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O2514.6Semi standard non polar33892256
Spectinomycin,2TMS,isomer #8CN[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](N(C)[Si](C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@@H]212601.5Semi standard non polar33892256
Spectinomycin,2TMS,isomer #9CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@@H]2[C@@H](N(C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2605.6Semi standard non polar33892256
Spectinomycin,3TMS,isomer #1CN[C@H]1[C@H](O[Si](C)(C)C)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O[Si](C)(C)C)O[C@@H]2[C@@H](NC)[C@H]1O[Si](C)(C)C2613.7Semi standard non polar33892256
Spectinomycin,3TMS,isomer #10C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C)O[C@@H]3[C@@H](N(C)[Si](C)(C)C)[C@@H](O)[C@@H](N(C)[Si](C)(C)C)[C@H](O)[C@H]3O[C@@H]2O12668.1Semi standard non polar33892256
Spectinomycin,3TMS,isomer #11CN[C@H]1[C@H](O[Si](C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O)O[C@@H]2[C@@H](NC)[C@H]1O[Si](C)(C)C2517.9Semi standard non polar33892256
Spectinomycin,3TMS,isomer #12CN[C@@H]1[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2616.6Semi standard non polar33892256
Spectinomycin,3TMS,isomer #13CN[C@H]1[C@H](O[Si](C)(C)C)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@@H]2[C@@H](N(C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2612.7Semi standard non polar33892256
Spectinomycin,3TMS,isomer #14CN[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](N(C)[Si](C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O)O[C@@H]212567.6Semi standard non polar33892256
Spectinomycin,3TMS,isomer #15CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O)O[C@@H]2[C@@H](N(C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2566.5Semi standard non polar33892256
Spectinomycin,3TMS,isomer #16C[C@@H]1CC(=O)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2652.4Semi standard non polar33892256
Spectinomycin,3TMS,isomer #17CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C)[C@H]2O[C@@]3(O)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O[Si](C)(C)C2564.4Semi standard non polar33892256
Spectinomycin,3TMS,isomer #18CN[C@@H]1[C@H]2O[C@@]3(O)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@@H]1O2566.1Semi standard non polar33892256
Spectinomycin,3TMS,isomer #19C[C@@H]1CC(=O)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C2645.6Semi standard non polar33892256
Spectinomycin,3TMS,isomer #2CN[C@@H]1[C@H](O[Si](C)(C)C)[C@H](NC)[C@H]2O[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O2560.9Semi standard non polar33892256
Spectinomycin,3TMS,isomer #20C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O)O[C@@H]3[C@@H](N(C)[Si](C)(C)C)[C@@H](O)[C@@H](N(C)[Si](C)(C)C)[C@H](O)[C@H]3O[C@@H]2O12613.4Semi standard non polar33892256
Spectinomycin,3TMS,isomer #3CN[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](N(C)[Si](C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O[Si](C)(C)C)O[C@@H]212649.3Semi standard non polar33892256
Spectinomycin,3TMS,isomer #4CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O[Si](C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2658.1Semi standard non polar33892256
Spectinomycin,3TMS,isomer #5CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](NC)[C@@H]1O2571.1Semi standard non polar33892256
Spectinomycin,3TMS,isomer #6CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C)[C@H]2O[C@@]3(O[Si](C)(C)C)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O[Si](C)(C)C2642.5Semi standard non polar33892256
Spectinomycin,3TMS,isomer #7CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@@H]1O2641.1Semi standard non polar33892256
Spectinomycin,3TMS,isomer #8CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C)[C@H]2O[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O2597.0Semi standard non polar33892256
Spectinomycin,3TMS,isomer #9CN[C@H]1[C@@H](O)[C@@H](N(C)[Si](C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)O[C@H]122595.3Semi standard non polar33892256
Spectinomycin,4TMS,isomer #1CN[C@H]1[C@H](O[Si](C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)O[C@@H]2[C@@H](NC)[C@H]1O[Si](C)(C)C2584.3Semi standard non polar33892256
Spectinomycin,4TMS,isomer #1CN[C@H]1[C@H](O[Si](C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)O[C@@H]2[C@@H](NC)[C@H]1O[Si](C)(C)C2790.2Standard non polar33892256
Spectinomycin,4TMS,isomer #1CN[C@H]1[C@H](O[Si](C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)O[C@@H]2[C@@H](NC)[C@H]1O[Si](C)(C)C2965.8Standard polar33892256
Spectinomycin,4TMS,isomer #10C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)O[C@@H]3[C@@H](N(C)[Si](C)(C)C)[C@@H](O)[C@@H](N(C)[Si](C)(C)C)[C@H](O)[C@H]3O[C@@H]2O12653.4Semi standard non polar33892256
Spectinomycin,4TMS,isomer #10C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)O[C@@H]3[C@@H](N(C)[Si](C)(C)C)[C@@H](O)[C@@H](N(C)[Si](C)(C)C)[C@H](O)[C@H]3O[C@@H]2O12721.6Standard non polar33892256
Spectinomycin,4TMS,isomer #10C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)O[C@@H]3[C@@H](N(C)[Si](C)(C)C)[C@@H](O)[C@@H](N(C)[Si](C)(C)C)[C@H](O)[C@H]3O[C@@H]2O13177.7Standard polar33892256
Spectinomycin,4TMS,isomer #11CN[C@@H]1[C@H]2O[C@@]3(O)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2574.3Semi standard non polar33892256
Spectinomycin,4TMS,isomer #11CN[C@@H]1[C@H]2O[C@@]3(O)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2723.7Standard non polar33892256
Spectinomycin,4TMS,isomer #11CN[C@@H]1[C@H]2O[C@@]3(O)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3197.6Standard polar33892256
Spectinomycin,4TMS,isomer #12CN[C@H]1[C@H](O[Si](C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O)O[C@@H]2[C@@H](N(C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2587.5Semi standard non polar33892256
Spectinomycin,4TMS,isomer #12CN[C@H]1[C@H](O[Si](C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O)O[C@@H]2[C@@H](N(C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2739.3Standard non polar33892256
Spectinomycin,4TMS,isomer #12CN[C@H]1[C@H](O[Si](C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O)O[C@@H]2[C@@H](N(C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C3192.6Standard polar33892256
Spectinomycin,4TMS,isomer #13C[C@@H]1CC(=O)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2690.2Semi standard non polar33892256
Spectinomycin,4TMS,isomer #13C[C@@H]1CC(=O)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2768.1Standard non polar33892256
Spectinomycin,4TMS,isomer #13C[C@@H]1CC(=O)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2968.8Standard polar33892256
Spectinomycin,4TMS,isomer #14C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2640.1Semi standard non polar33892256
Spectinomycin,4TMS,isomer #14C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2723.4Standard non polar33892256
Spectinomycin,4TMS,isomer #14C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C3276.5Standard polar33892256
Spectinomycin,4TMS,isomer #15C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C2632.4Semi standard non polar33892256
Spectinomycin,4TMS,isomer #15C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C2723.6Standard non polar33892256
Spectinomycin,4TMS,isomer #15C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C3283.7Standard polar33892256
Spectinomycin,4TMS,isomer #2CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2669.9Semi standard non polar33892256
Spectinomycin,4TMS,isomer #2CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2809.6Standard non polar33892256
Spectinomycin,4TMS,isomer #2CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2848.3Standard polar33892256
Spectinomycin,4TMS,isomer #3CN[C@H]1[C@H](O[Si](C)(C)C)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O[Si](C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2676.8Semi standard non polar33892256
Spectinomycin,4TMS,isomer #3CN[C@H]1[C@H](O[Si](C)(C)C)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O[Si](C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2789.0Standard non polar33892256
Spectinomycin,4TMS,isomer #3CN[C@H]1[C@H](O[Si](C)(C)C)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O[Si](C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2821.2Standard polar33892256
Spectinomycin,4TMS,isomer #4CN[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](N(C)[Si](C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)O[C@@H]212622.6Semi standard non polar33892256
Spectinomycin,4TMS,isomer #4CN[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](N(C)[Si](C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)O[C@@H]212756.5Standard non polar33892256
Spectinomycin,4TMS,isomer #4CN[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](N(C)[Si](C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)O[C@@H]213067.4Standard polar33892256
Spectinomycin,4TMS,isomer #5CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2624.6Semi standard non polar33892256
Spectinomycin,4TMS,isomer #5CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2750.3Standard non polar33892256
Spectinomycin,4TMS,isomer #5CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C3105.0Standard polar33892256
Spectinomycin,4TMS,isomer #6C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2711.4Semi standard non polar33892256
Spectinomycin,4TMS,isomer #6C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2796.7Standard non polar33892256
Spectinomycin,4TMS,isomer #6C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2923.3Standard polar33892256
Spectinomycin,4TMS,isomer #7CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C)[C@H]2O[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O[Si](C)(C)C2613.7Semi standard non polar33892256
Spectinomycin,4TMS,isomer #7CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C)[C@H]2O[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O[Si](C)(C)C2712.1Standard non polar33892256
Spectinomycin,4TMS,isomer #7CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C)[C@H]2O[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O[Si](C)(C)C3114.2Standard polar33892256
Spectinomycin,4TMS,isomer #8CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@@H]1O2614.8Semi standard non polar33892256
Spectinomycin,4TMS,isomer #8CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@@H]1O2720.1Standard non polar33892256
Spectinomycin,4TMS,isomer #8CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@@H]1O3120.1Standard polar33892256
Spectinomycin,4TMS,isomer #9C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C2685.4Semi standard non polar33892256
Spectinomycin,4TMS,isomer #9C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C2800.3Standard non polar33892256
Spectinomycin,4TMS,isomer #9C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C2922.8Standard polar33892256
Spectinomycin,5TMS,isomer #1CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2642.3Semi standard non polar33892256
Spectinomycin,5TMS,isomer #1CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2778.5Standard non polar33892256
Spectinomycin,5TMS,isomer #1CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2876.3Standard polar33892256
Spectinomycin,5TMS,isomer #2CN[C@H]1[C@H](O[Si](C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2643.4Semi standard non polar33892256
Spectinomycin,5TMS,isomer #2CN[C@H]1[C@H](O[Si](C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2792.6Standard non polar33892256
Spectinomycin,5TMS,isomer #2CN[C@H]1[C@H](O[Si](C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2862.8Standard polar33892256
Spectinomycin,5TMS,isomer #3C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2749.0Semi standard non polar33892256
Spectinomycin,5TMS,isomer #3C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2848.4Standard non polar33892256
Spectinomycin,5TMS,isomer #3C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2760.2Standard polar33892256
Spectinomycin,5TMS,isomer #4C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2688.1Semi standard non polar33892256
Spectinomycin,5TMS,isomer #4C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2763.9Standard non polar33892256
Spectinomycin,5TMS,isomer #4C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2969.6Standard polar33892256
Spectinomycin,5TMS,isomer #5C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C2662.5Semi standard non polar33892256
Spectinomycin,5TMS,isomer #5C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C2764.7Standard non polar33892256
Spectinomycin,5TMS,isomer #5C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C2967.8Standard polar33892256
Spectinomycin,5TMS,isomer #6C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2677.8Semi standard non polar33892256
Spectinomycin,5TMS,isomer #6C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2769.0Standard non polar33892256
Spectinomycin,5TMS,isomer #6C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C3079.7Standard polar33892256
Spectinomycin,6TMS,isomer #1C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2719.3Semi standard non polar33892256
Spectinomycin,6TMS,isomer #1C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2805.6Standard non polar33892256
Spectinomycin,6TMS,isomer #1C[C@@H]1C=C(O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C)[C@H](N(C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3N(C)[Si](C)(C)C2836.8Standard polar33892256
Spectinomycin,1TBDMS,isomer #1CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@H]122788.5Semi standard non polar33892256
Spectinomycin,1TBDMS,isomer #2CN[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O2792.8Semi standard non polar33892256
Spectinomycin,1TBDMS,isomer #3CN[C@@H]1[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC)[C@@H]1O2790.4Semi standard non polar33892256
Spectinomycin,1TBDMS,isomer #4CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)O[C@H]122725.0Semi standard non polar33892256
Spectinomycin,1TBDMS,isomer #5CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O2785.7Semi standard non polar33892256
Spectinomycin,1TBDMS,isomer #6CN[C@H]1[C@@H](O)[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]122803.0Semi standard non polar33892256
Spectinomycin,2TBDMS,isomer #1CN[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC)[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O3001.7Semi standard non polar33892256
Spectinomycin,2TBDMS,isomer #10CN[C@@H]1[C@H]2O[C@@]3(O)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC)[C@@H]1O2911.8Semi standard non polar33892256
Spectinomycin,2TBDMS,isomer #11CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O[Si](C)(C)C(C)(C)C3035.4Semi standard non polar33892256
Spectinomycin,2TBDMS,isomer #12CN[C@@H]1[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H]1O3040.9Semi standard non polar33892256
Spectinomycin,2TBDMS,isomer #13CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]2O[C@@]3(O)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O2962.9Semi standard non polar33892256
Spectinomycin,2TBDMS,isomer #14CN[C@H]1[C@@H](O)[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)O[C@H]122970.0Semi standard non polar33892256
Spectinomycin,2TBDMS,isomer #15C[C@@H]1CC(=O)[C@]2(O)O[C@@H]3[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[C@@H]2O13075.8Semi standard non polar33892256
Spectinomycin,2TBDMS,isomer #2CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC)[C@@H]1O2994.9Semi standard non polar33892256
Spectinomycin,2TBDMS,isomer #3CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@H]122943.7Semi standard non polar33892256
Spectinomycin,2TBDMS,isomer #4CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O3034.3Semi standard non polar33892256
Spectinomycin,2TBDMS,isomer #5CN[C@H]1[C@@H](O)[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@H]123043.2Semi standard non polar33892256
Spectinomycin,2TBDMS,isomer #6CN[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@@H]2[C@@H](NC)[C@H]1O[Si](C)(C)C(C)(C)C2982.7Semi standard non polar33892256
Spectinomycin,2TBDMS,isomer #7CN[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC)[C@H]2O[C@@]3(O)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O2900.5Semi standard non polar33892256
Spectinomycin,2TBDMS,isomer #8CN[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@@H]213053.3Semi standard non polar33892256
Spectinomycin,2TBDMS,isomer #9CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@@H]2[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3043.4Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #1CN[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@@H]2[C@@H](NC)[C@H]1O[Si](C)(C)C(C)(C)C3175.5Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #10C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)O[C@@H]3[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[C@@H]2O13339.4Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #11CN[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)O[C@@H]2[C@@H](NC)[C@H]1O[Si](C)(C)C(C)(C)C3055.3Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #12CN[C@@H]1[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3258.1Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #13CN[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@@H]2[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3257.6Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #14CN[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)O[C@@H]213179.0Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #15CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)O[C@@H]2[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3175.2Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #16C[C@@H]1CC(=O)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3324.8Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #17CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]2O[C@@]3(O)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O[Si](C)(C)C(C)(C)C3163.0Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #18CN[C@@H]1[C@H]2O[C@@]3(O)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H]1O3168.2Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #19C[C@@H]1CC(=O)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3315.4Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #2CN[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC)[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O3115.5Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #20C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)[C@]2(O)O[C@@H]3[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[C@@H]2O13248.1Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #3CN[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@@H]213272.0Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #4CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3268.6Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #5CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC)[C@@H]1O3115.9Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #6CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O[Si](C)(C)C(C)(C)C3248.1Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #7CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H]1O3250.1Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #8CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O3197.5Semi standard non polar33892256
Spectinomycin,3TBDMS,isomer #9CN[C@H]1[C@@H](O)[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@H]123191.9Semi standard non polar33892256
Spectinomycin,4TBDMS,isomer #1CN[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@@H]2[C@@H](NC)[C@H]1O[Si](C)(C)C(C)(C)C3244.1Semi standard non polar33892256
Spectinomycin,4TBDMS,isomer #1CN[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@@H]2[C@@H](NC)[C@H]1O[Si](C)(C)C(C)(C)C3441.7Standard non polar33892256
Spectinomycin,4TBDMS,isomer #1CN[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@@H]2[C@@H](NC)[C@H]1O[Si](C)(C)C(C)(C)C3304.1Standard polar33892256
Spectinomycin,4TBDMS,isomer #10C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)[C@]2(O[Si](C)(C)C(C)(C)C)O[C@@H]3[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[C@@H]2O13477.9Semi standard non polar33892256
Spectinomycin,4TBDMS,isomer #10C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)[C@]2(O[Si](C)(C)C(C)(C)C)O[C@@H]3[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[C@@H]2O13410.2Standard non polar33892256
Spectinomycin,4TBDMS,isomer #10C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)[C@]2(O[Si](C)(C)C(C)(C)C)O[C@@H]3[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[C@@H]2O13463.3Standard polar33892256
Spectinomycin,4TBDMS,isomer #11CN[C@@H]1[C@H]2O[C@@]3(O)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3382.5Semi standard non polar33892256
Spectinomycin,4TBDMS,isomer #11CN[C@@H]1[C@H]2O[C@@]3(O)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3411.2Standard non polar33892256
Spectinomycin,4TBDMS,isomer #11CN[C@@H]1[C@H]2O[C@@]3(O)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3498.5Standard polar33892256
Spectinomycin,4TBDMS,isomer #12CN[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)O[C@@H]2[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3371.7Semi standard non polar33892256
Spectinomycin,4TBDMS,isomer #12CN[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)O[C@@H]2[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3430.2Standard non polar33892256
Spectinomycin,4TBDMS,isomer #12CN[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)O[C@@H]2[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3490.6Standard polar33892256
Spectinomycin,4TBDMS,isomer #13C[C@@H]1CC(=O)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3562.2Semi standard non polar33892256
Spectinomycin,4TBDMS,isomer #13C[C@@H]1CC(=O)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3552.2Standard non polar33892256
Spectinomycin,4TBDMS,isomer #13C[C@@H]1CC(=O)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3362.1Standard polar33892256
Spectinomycin,4TBDMS,isomer #14C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3468.1Semi standard non polar33892256
Spectinomycin,4TBDMS,isomer #14C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3421.9Standard non polar33892256
Spectinomycin,4TBDMS,isomer #14C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3574.4Standard polar33892256
Spectinomycin,4TBDMS,isomer #15C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3453.2Semi standard non polar33892256
Spectinomycin,4TBDMS,isomer #15C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3425.6Standard non polar33892256
Spectinomycin,4TBDMS,isomer #15C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3581.7Standard polar33892256
Spectinomycin,4TBDMS,isomer #2CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3462.7Semi standard non polar33892256
Spectinomycin,4TBDMS,isomer #2CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3618.8Standard non polar33892256
Spectinomycin,4TBDMS,isomer #2CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3261.6Standard polar33892256
Spectinomycin,4TBDMS,isomer #3CN[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3455.6Semi standard non polar33892256
Spectinomycin,4TBDMS,isomer #3CN[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3595.0Standard non polar33892256
Spectinomycin,4TBDMS,isomer #3CN[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3237.7Standard polar33892256
Spectinomycin,4TBDMS,isomer #4CN[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@@H]213397.2Semi standard non polar33892256
Spectinomycin,4TBDMS,isomer #4CN[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@@H]213443.3Standard non polar33892256
Spectinomycin,4TBDMS,isomer #4CN[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@@H]213375.0Standard polar33892256
Spectinomycin,4TBDMS,isomer #5CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3391.1Semi standard non polar33892256
Spectinomycin,4TBDMS,isomer #5CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3430.5Standard non polar33892256
Spectinomycin,4TBDMS,isomer #5CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)O[C@@H]2[C@@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3399.0Standard polar33892256
Spectinomycin,4TBDMS,isomer #6C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3569.7Semi standard non polar33892256
Spectinomycin,4TBDMS,isomer #6C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3587.5Standard non polar33892256
Spectinomycin,4TBDMS,isomer #6C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3313.3Standard polar33892256
Spectinomycin,4TBDMS,isomer #7CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O[Si](C)(C)C(C)(C)C3368.0Semi standard non polar33892256
Spectinomycin,4TBDMS,isomer #7CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O[Si](C)(C)C(C)(C)C3383.7Standard non polar33892256
Spectinomycin,4TBDMS,isomer #7CN[C@@H]1[C@H](O)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O[Si](C)(C)C(C)(C)C3400.5Standard polar33892256
Spectinomycin,4TBDMS,isomer #8CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H]1O3386.9Semi standard non polar33892256
Spectinomycin,4TBDMS,isomer #8CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H]1O3398.5Standard non polar33892256
Spectinomycin,4TBDMS,isomer #8CN[C@@H]1[C@H]2O[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@@H]1O3408.9Standard polar33892256
Spectinomycin,4TBDMS,isomer #9C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3550.7Semi standard non polar33892256
Spectinomycin,4TBDMS,isomer #9C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3596.3Standard non polar33892256
Spectinomycin,4TBDMS,isomer #9C[C@@H]1CC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]3N(C)[Si](C)(C)C(C)(C)C3307.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Spectinomycin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-6694000000-13d9ae69c7b91dc4a5462017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Spectinomycin GC-MS (3 TMS) - 70eV, Positivesplash10-001i-4325590000-5e7cf84e200533dac2de2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Spectinomycin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Spectinomycin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Spectinomycin GC-MS (TMS_3_8) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Spectinomycin GC-MS (TBDMS_3_8) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Spectinomycin GC-MS ("Spectinomycin,3TMS,#8" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Spectinomycin Linear Ion Trap , negative-QTOFsplash10-08fr-0981000000-7b067e918b209eac92b82017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spectinomycin LC-ESI-QQ , positive-QTOFsplash10-001i-0009000000-b9eac7fc0b26b25322e52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spectinomycin LC-ESI-QQ , positive-QTOFsplash10-001i-0109000000-579b95f7f98de34557b52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spectinomycin LC-ESI-QQ , positive-QTOFsplash10-001i-1905000000-2a7f6f7210597e02ca8b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spectinomycin LC-ESI-QQ , positive-QTOFsplash10-0005-8900000000-cbcc3a787f8ddb194a172017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spectinomycin LC-ESI-QQ , positive-QTOFsplash10-00dj-9200000000-8e0fffdf1e10bf82d5f62017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spectinomycin LC-ESI-IT , positive-QTOFsplash10-000i-0931000000-72bf96c01e6ac30e14de2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spectinomycin Linear Ion Trap , positive-QTOFsplash10-000i-0963000000-2806611756fc50c1eada2017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spectinomycin 10V, Positive-QTOFsplash10-00lr-0119000000-84d5f6249bbefcc3a4532016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spectinomycin 20V, Positive-QTOFsplash10-014i-3937000000-6e2414757f458b6757482016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spectinomycin 40V, Positive-QTOFsplash10-022i-9800000000-bacae73c7a3f1d7de79e2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spectinomycin 10V, Negative-QTOFsplash10-001i-4269000000-ee14622c3d5d24c4c5ac2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spectinomycin 20V, Negative-QTOFsplash10-022i-2923000000-eb253f0e0455436a42df2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spectinomycin 40V, Negative-QTOFsplash10-01ox-9800000000-7bbd831b82d2684fe3a42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spectinomycin 10V, Positive-QTOFsplash10-001i-0009000000-ed7acfdc691b800627472021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spectinomycin 20V, Positive-QTOFsplash10-001i-0009000000-f848d0d9d61836db6a6a2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spectinomycin 40V, Positive-QTOFsplash10-0f96-9070000000-a75c61da3f3f53ed5fb72021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spectinomycin 10V, Negative-QTOFsplash10-001i-0019000000-a84f323d2bda39a557f22021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spectinomycin 20V, Negative-QTOFsplash10-03di-1091000000-9f8b15e6c7a057bd0ec52021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spectinomycin 40V, Negative-QTOFsplash10-05fu-9452000000-928983447daf3821a0172021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00919 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00919 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00919
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDC00018037
Chemspider ID14785
KEGG Compound IDC02078
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSpectinomycin
METLIN IDNot Available
PubChem Compound15541
PDB IDNot Available
ChEBI ID9215
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available