1.0 2020-04-20 19:54:42 UTC 2025-11-19 03:11:41 UTC FDB112362 Fluticasone propionate C25H31F3O5S 500.571 500.184429407 (1R,2S,8S,10S,11S,13R,14R,15S,17S)-1,8-difluoro-14-{[(fluoromethyl)sulfanyl]carbonyl}-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl propanoate (1R,2S,8S,10S,11S,13R,14R,15S,17S)-1,8-difluoro-14-{[(fluoromethyl)sulfanyl]carbonyl}-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl propanoate [H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1 WMWTYOKRWGGJOA-CENSZEJFSA-N belongs to the class of organic compounds known as steroid esters. Steroid esters are compounds containing a steroid moiety which bears a carboxylic acid ester group. Steroid esters Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters Aliphatic homopolycyclic compounds 11-beta-hydroxysteroids 3-oxo delta-1,4-steroids Alkyl fluorides Androgens and derivatives Carbothioic S-esters Carboxylic acid esters Cyclic alcohols and derivatives Cyclic ketones Delta-1,4-steroids Fluorohydrins Halogenated steroids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organofluorides Secondary alcohols Sulfenyl compounds Thioesters 11-beta-hydroxysteroid 11-hydroxysteroid 3-oxo-delta-1,4-steroid 3-oxosteroid 6-halo-steroid 9-halo-steroid Alcohol Aliphatic homopolycyclic compound Alkyl fluoride Alkyl halide Androgen-skeleton Androstane-skeleton Carbonyl group Carbothioic s-ester Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclic ketone Delta-1,4-steroid Fluorohydrin Halo-steroid Halohydrin Hydrocarbon derivative Hydroxysteroid Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organooxygen compound Organosulfur compound Oxosteroid Secondary alcohol Steroid ester Sulfenyl compound Thiocarboxylic acid ester Thiocarboxylic acid or derivatives 11beta-hydroxy steroid 3-oxo-Delta(1),Delta(4)-steroid corticosteroid fluorinated steroid propanoate ester steroid ester thioester logp 3.69 ALOGPS logs -4.64 ALOGPS solubility 1.14e-02 g/l ALOGPS logp 3.72 ChemAxon pka_strongest_acidic 13.56 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (1R,2S,8S,10S,11S,13R,14R,15S,17S)-1,8-difluoro-14-{[(fluoromethyl)sulfanyl]carbonyl}-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl propanoate ChemAxon average_mass 500.571 ChemAxon mono_mass 500.184429407 ChemAxon smiles [H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C ChemAxon formula C25H31F3O5S ChemAxon inchi InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1 ChemAxon inchikey WMWTYOKRWGGJOA-CENSZEJFSA-N ChemAxon polar_surface_area 80.67 ChemAxon refractivity 121.65 ChemAxon polarizability 49.29 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25139 Specdb::CMs 40421 Specdb::MsMs 255327 Specdb::MsMs 255328 Specdb::MsMs 255329 Specdb::MsMs 275268 Specdb::MsMs 275269 Specdb::MsMs 275270 Specdb::MsMs 450993 Specdb::MsMs 2236588 Specdb::MsMs 2236805 Specdb::MsMs 2238718 Specdb::MsMs 2238859 Specdb::MsMs 2240844 Specdb::MsMs 2240864 Specdb::MsMs 2242877 Specdb::MsMs 2242957 Specdb::MsMs 3049577 Specdb::MsMs 3049578 Specdb::MsMs 3049579 Specdb::MsMs 3117551 Specdb::MsMs 3117552 Specdb::MsMs 3117553 HMDB0014726 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823