RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200540
RefMet name	Triamcinolone
Systematic name	(1R,2S,10S,11S,13R,14S,15S,17S)-1-fluoro-13,14,17-trihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one
Synonyms	PubChem Synonyms
Exact mass	394.179167 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C21H27FO6	View other entries in RefMet with this formula
Molecular descriptors
Molfile	42947 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	GFNANZIMVAIWHM-OBYCQNJPSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@H]([C@](C(=O)CO)([C@@]3(C)C[C@@H]([C@]21F)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Sterol Lipids
Main Class	Steroids
Sub Class	C21 Steroids
Distribution of Triamcinolone in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Triamcinolone
External Links
Pubchem CID	31307
ChEBI ID	9667
HMDB ID	HMDB0014758
Chemspider ID	29046
EPA CompTox	DTXCID60209673
Spectral data for Triamcinolone standards
MassBank(EU)	View MS spectra