1.0 2016-09-30 23:09:44 UTC 2020-04-22 15:13:52 UTC BMDB0004590 BMDB04590 19-Nor-5-androstenediol (3b,17b)-Estr-5-ene-3,17-diol 19-Nor-5-androstene-3b,17b-diol D5-Estrene-3b,17b-diol Estr-5-ene-3b,17b-diol C18H28O2 276.4137 276.20893014 (1S,2R,5S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,14-diol estr-5-ene-3b,17b-diol 25975-59-1 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](O)CC3=CC[C@@]21[H] InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,12-17,19-20H,3-10H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1 VVUQRXPUVKXAIO-XFUVECHXSA-N belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids Estrogens and derivatives 17-hydroxysteroids 3-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Secondary alcohols 17-hydroxysteroid 3-beta-hydroxy-delta-5-steroid 3-beta-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Delta-5-steroid Estrogen-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic homopolycyclic compounds C18 steroids (estrogens) and derivatives Solid logp 3.06 ALOGPS logs -3.63 ALOGPS logp 2.5 ChemAxon pka_strongest_acidic 18.23 ChemAxon pka_strongest_basic -0.77 ChemAxon iupac (1S,2R,5S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,14-diol ChemAxon average_mass 276.4137 ChemAxon mono_mass 276.20893014 ChemAxon smiles [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](O)CC3=CC[C@@]21[H] ChemAxon formula C18H28O2 ChemAxon inchi InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,12-17,19-20H,3-10H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1 ChemAxon inchikey VVUQRXPUVKXAIO-XFUVECHXSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 81.01 ChemAxon polarizability 33.34 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 10447 Specdb::CMs 38767 Specdb::CMs 133211 Specdb::CMs 140945 Specdb::MsMs 247725 Specdb::MsMs 247726 Specdb::MsMs 247727 Specdb::MsMs 267666 Specdb::MsMs 267667 Specdb::MsMs 267668 Specdb::MsMs 2461717 Specdb::MsMs 2461718 Specdb::MsMs 2461719 Specdb::MsMs 2477816 Specdb::MsMs 2477817 Specdb::MsMs 2477818 8075901 FDB023379 9900246 529214 DB01455 19-Nor-5-androstenediol Hartman, John A. The preparation of four 3,17b-dihydroxyestrenes. Journal of the American Chemical Society (1955), 77 5151-4.