1.0 2016-09-30 22:28:52 UTC 2020-04-22 15:03:02 UTC BMDB0000338 BMDB00338 2-Hydroxyestradiol (17beta)-Estra-1,3,5(10)-triene-2,3,17-triol 2-Hydroxyestradiol-17beta 2-OH-e2 2-OH-Estradiol (17b)-Estra-1,3,5(10)-triene-2,3,17-triol (17Β)-estra-1,3,5(10)-triene-2,3,17-triol 2-Hydroxyestradiol-17b 2-Hydroxyestradiol-17β (17b)-Estra-1,3, 5(10)-triene-2,3,17-triol (17beta)- Estra-1,3, 5 (10)-triene-2,3,17-triol 1,3,5(10)-Estratriene-2,3,17Beta-triol 17beta-2-Hydroxyestradiol 2,3,17b-Trihydroxyestra-1,3,5(10)-triene 2-Hydroxy-17beta-estradiol 2-Hydroxy-estradiol ECS Estra-1,3,5 (10)-triene-2,3,17.beta.-triol Estra-1,3,5(10)-triene-2,3,17-beta-triol Estra-1,3,5(10)-triene-2,3,17-triol (acd/name 4.0) Estra-1,3,5(10)-triene-2,3,17b-triol Estra-1,3,5(10)-triene-2,3,17beta-triol 2-Hydroxyestradiol-17 alpha 2-Hydroxyestradiol-17 beta 2-Hydroxyestradiol, (17alpha)-isomer 2-Hydroxyestradiol, 4-(14)C-labeled C18H24O3 288.3814 288.172544634 (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-4,5,14-triol (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-4,5,14-triol 362-05-0 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(O)=C3 InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1 DILDHNKDVHLEQB-XSSYPUMDSA-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 1-hydroxy-2-unsubstituted benzenoids 17-hydroxysteroids 3-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Phenanthrenes and derivatives Polyols Secondary alcohols Tetralins 1-hydroxy-2-unsubstituted benzenoid 17-hydroxysteroid 2-hydroxysteroid 3-hydroxysteroid Alcohol Aromatic homopolycyclic compound Benzenoid Cyclic alcohol Estrogen-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Phenanthrene Polyol Secondary alcohol Tetralin Aromatic homopolycyclic compounds 17beta-hydroxy steroid 2-hydroxy steroid C18 steroids (estrogens) and derivatives C18 steroids (estrogens) and derivatives Estrane and derivatives Solid melting_point 190 - 191 °C logp 3.39 ALOGPS logs -3.75 ALOGPS logp 3.44 ChemAxon pka_strongest_acidic 9.67 ChemAxon pka_strongest_basic -0.88 ChemAxon iupac (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-4,5,14-triol ChemAxon average_mass 288.3814 ChemAxon mono_mass 288.172544634 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(O)=C3 ChemAxon formula C18H24O3 ChemAxon inchi InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1 ChemAxon inchikey DILDHNKDVHLEQB-XSSYPUMDSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 81.89 ChemAxon polarizability 33.08 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 3 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 9456 Specdb::CMs 37443 Specdb::CMs 136730 Specdb::CMs 144464 Specdb::CMs 1058893 Specdb::CMs 1058895 Specdb::CMs 1058897 Specdb::CMs 1058899 Specdb::CMs 1058901 Specdb::CMs 1058903 Specdb::CMs 1058904 Specdb::CMs 1058906 Specdb::CMs 1058908 Specdb::CMs 1058910 Specdb::CMs 1058912 Specdb::CMs 1058914 Specdb::CMs 1058916 Specdb::NmrTwoD 1278 Specdb::MsMs 543 Specdb::MsMs 544 Specdb::MsMs 545 Specdb::MsMs 255555 Specdb::MsMs 255556 Specdb::MsMs 255557 Specdb::MsMs 275496 Specdb::MsMs 275497 Specdb::MsMs 275498 Specdb::MsMs 2420043 Specdb::MsMs 2420044 Specdb::MsMs 2420045 Specdb::MsMs 2545213 Specdb::MsMs 2545214 Specdb::MsMs 2545215 Specdb::NmrOneD 1335 216475 FDB021962 DB07706 247304 28744 C05301 2-Hydroxyestradiol 5327 Kiuru, Paula S.; Wahala, Kristiina. Short synthesis of 2-methoxyestradiol and 2-hydroxyestradiol. Steroids (2003), 68(4), 373-375.