1.0 2020-04-20 17:42:32 UTC 2025-11-19 03:11:21 UTC FDB112198 17a-Estradiol C18H24O2 272.382 272.177630012 (1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol (1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1 VOXZDWNPVJITMN-SFFUCWETSA-N belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. Estrogens and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 17-hydroxysteroids 3-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Phenanthrenes and derivatives Secondary alcohols Tetralins 1-hydroxy-2-unsubstituted benzenoid 17-hydroxysteroid 3-hydroxysteroid Alcohol Aromatic homopolycyclic compound Benzenoid Cyclic alcohol Estrogen-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Phenanthrene Secondary alcohol Tetralin 17alpha-hydroxy steroid 3-hydroxy steroid C18 steroids (estrogens) and derivatives C18 steroids (estrogens) and derivatives Estrane and derivatives estradiol logp 3.57 ALOGPS logs -4.11 ALOGPS solubility 2.13e-02 g/l ALOGPS logp 3.75 ChemAxon pka_strongest_acidic 10.33 ChemAxon pka_strongest_basic -0.88 ChemAxon iupac (1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol ChemAxon average_mass 272.382 ChemAxon mono_mass 272.177630012 ChemAxon smiles [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 ChemAxon formula C18H24O2 ChemAxon inchi InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1 ChemAxon inchikey VOXZDWNPVJITMN-SFFUCWETSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 79.9 ChemAxon polarizability 31.93 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 155 Specdb::NmrOneD 1367 Specdb::CMs 2059 Specdb::CMs 16289 Specdb::CMs 31143 Specdb::CMs 37528 Specdb::CMs 155771 Specdb::CMs 1062350 Specdb::CMs 1062352 Specdb::CMs 1062353 Specdb::CMs 1062355 Specdb::CMs 1062357 Specdb::NmrTwoD 1311 Specdb::MsMs 632 Specdb::MsMs 633 Specdb::MsMs 634 Specdb::MsMs 302086 Specdb::MsMs 302087 Specdb::MsMs 302088 Specdb::MsMs 344722 Specdb::MsMs 344723 Specdb::MsMs 344724 Specdb::MsMs 2236098 Specdb::MsMs 2237301 Specdb::MsMs 2238170 Specdb::MsMs 2239392 Specdb::MsMs 2240315 Specdb::MsMs 2241408 Specdb::MsMs 2242400 Specdb::MsMs 2243444 Specdb::MsMs 2248658 Specdb::MsMs 2249715 Specdb::MsMs 2428351 Specdb::MsMs 2428352 Specdb::MsMs 2428353 Specdb::MsMs 2506529 Specdb::MsMs 2506530 Specdb::MsMs 2506531 HMDB0000429 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