Metabolite M26 fluticasone furoate
- Name
- M26 fluticasone furoate
- Description
- Not Available
- Structure
Structure for M26 fluticasone furoate
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 488.508
Monoisotopic: 488.184646057 - Chemical Formula
- C26H29FO8
- InChI Key
- MJNRMZRKFQPTPV-VEGHOPOESA-N
- InChI
- InChI=1S/C26H29FO8/c1-13-9-15-16-11-18(29)17-10-14(28)6-7-23(17,2)25(16,27)20(30)12-24(15,3)26(13,22(32)33)35-21(31)19-5-4-8-34-19/h4-8,10,13,15-16,18,20,29-30H,9,11-12H2,1-3H3,(H,32,33)/t13-,15+,16+,18+,20+,23+,24+,25+,26+/m1/s1
- IUPAC Name
- (1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-9b-fluoro-1-(furan-2-carbonyloxy)-5,10-dihydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1-carboxylic acid
- SMILES
- [H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(O)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](O)C2=CC(=O)C=C[C@]12C
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP 2.49 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 134.27 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 120.97 m3·mol-1 Chemaxon Polarizability 48.45 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon