1.0 2016-09-30 23:19:58 UTC 2020-04-22 15:16:47 UTC BMDB0006046 BMDB06046 5a-Androst-3-en-17-one 5alpha-Androst-3-en-17-one Androst-3-en-17-one (5a)-Androst-3-en-17-one (5Α)-androst-3-en-17-one C19H28O 272.425 272.214015518 (1S,2S,7S,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-5-en-14-one (1S,2S,7S,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-5-en-14-one 14935-81-0 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C=CCC[C@]12C InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3,5,13-16H,4,6-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1 RJWNCDOWHNLVPF-HKQXQEGQSA-N belongs to the class of organic compounds known as androstane steroids. These are steroids with a structure based on the 19-carbon androstane skeleton. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids Androstane steroids 17-oxosteroids Hydrocarbon derivatives Ketones Organic oxides 17-oxosteroid Aliphatic homopolycyclic compound Androstane-skeleton Carbonyl group Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Aliphatic homopolycyclic compounds 17-oxo steroid C19 steroids (androgens) and derivatives androstanoid Solid logp 4.70 ALOGPS logs -6.07 ALOGPS logp 4.79 ChemAxon pka_strongest_acidic 19.96 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac (1S,2S,7S,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-5-en-14-one ChemAxon average_mass 272.425 ChemAxon mono_mass 272.214015518 ChemAxon smiles [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C=CCC[C@]12C ChemAxon formula C19H28O ChemAxon inchi InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3,5,13-16H,4,6-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1 ChemAxon inchikey RJWNCDOWHNLVPF-HKQXQEGQSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 83.26 ChemAxon polarizability 32.98 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 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 10265 Specdb::CMs 165975 Specdb::MsMs 288646 Specdb::MsMs 288647 Specdb::MsMs 288648 Specdb::MsMs 327832 Specdb::MsMs 327833 Specdb::MsMs 327834 Specdb::MsMs 2471082 Specdb::MsMs 2471083 Specdb::MsMs 2471084 Specdb::MsMs 2495264 Specdb::MsMs 2495265 Specdb::MsMs 2495266 9982502 11807837 FDB023819 86393