1.0 2011-09-21 00:12:42 UTC 2015-10-09 22:29:12 UTC FDB022357 16-Dehydroprogesterone Prometrium is a brand of micronized progesterone. It is used as a prescription drug in hormone replacement therapy. [HMDB] 16-Dehydroprogesterone 16,17-Didehydroprogesterone 3,20-Dioxopregna-4,16-diene 4,16-Pregnadiene-3,20-dione D16-Progesterone D4,16-Pregnadiene-3,20-dione delta.16-Progesterone Delta(4,16)-Pregnadiene-3,20-dione delta4,16-Pregnadiene-3,20-dione Pregna-4,16-diene-3,20-dione δ(4,16)-pregnadiene-3,20-dione C21H28O2 312.4458 312.20893014 (1S,2R,10R,11S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-6,13-dien-5-one (1S,2R,10R,11S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-6,13-dien-5-one 1096-38-4 [H][C@@]12CC=C(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1 VRRHHTISESGZFN-RKFFNLMFSA-N belongs to the class of organic compounds known as 20-oxosteroids. These are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton. 20-oxosteroids Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Oxosteroids Aliphatic homopolycyclic compounds 3-oxosteroids Androgens and derivatives Cyclohexenones Hydrocarbon derivatives Organic oxides 20-oxosteroid 3-oxosteroid Aliphatic homopolycyclic compound Androgen-skeleton Androstane-skeleton Carbonyl group Cyclic ketone Cyclohexenone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound 20-oxo steroid 3-oxo Delta(4)-steroid C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives enone Solid logp 3.80 ALOGPS logs -4.51 ALOGPS solubility 9.72e-03 g/l ALOGPS logp 4 ChemAxon pka_strongest_acidic 18.98 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (1S,2R,10R,11S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-6,13-dien-5-one ChemAxon average_mass 312.4458 ChemAxon mono_mass 312.20893014 ChemAxon smiles [H][C@@]12CC=C(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C ChemAxon formula C21H28O2 ChemAxon inchi InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1 ChemAxon inchikey VRRHHTISESGZFN-RKFFNLMFSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 93.58 ChemAxon polarizability 36.77 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1571 Specdb::NmrOneD 1630 Specdb::CMs 19044 Specdb::CMs 146406 Specdb::MsMs 1384 Specdb::MsMs 1385 Specdb::MsMs 1386 Specdb::MsMs 308302 Specdb::MsMs 308303 Specdb::MsMs 308304 Specdb::MsMs 352447 Specdb::MsMs 352448 Specdb::MsMs 352449 Specdb::MsMs 2408761 Specdb::MsMs 2408762 Specdb::MsMs 2408763 Specdb::MsMs 2554405 Specdb::MsMs 2554406 Specdb::MsMs 2554407 HMDB00995 18204 #<Reference:0x000055ce327a6ee8> 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