1.0 2010-04-08 22:13:00 UTC 2025-11-19 01:53:16 UTC FDB017303 Pelanin Isolated from potato. Pelanin is found in potato. Pelanin C23H32O3 356.4984 356.23514489 (1S,10R,11S,14S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-14-yl pentanoate estradiol valerate 51922-18-0 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCCC InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1 RSEPBGGWRJCQGY-RBRWEJTLSA-N belongs to the class of organic compounds known as steroid esters. Steroid esters are compounds containing a steroid moiety which bears a carboxylic acid ester group. Steroid esters Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 3-hydroxysteroids Carbonyl compounds Carboxylic acid esters Estrogens and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Phenanthrenes and derivatives Tetralins 1-hydroxy-2-unsubstituted benzenoid 3-hydroxysteroid Aromatic homopolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Estrane-skeleton Estrogen-skeleton Hydrocarbon derivative Hydroxysteroid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenanthrene Steroid ester Tetralin C18 steroids (estrogens) and derivatives C18 steroids (estrogens) and derivatives steroid ester logp 5.28 ALOGPS logs -5.76 ALOGPS solubility 6.17e-04 g/l ALOGPS logp 5.78 ChemAxon pka_strongest_acidic 10.33 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac (1S,10R,11S,14S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-14-yl pentanoate ChemAxon average_mass 356.4984 ChemAxon mono_mass 356.23514489 ChemAxon smiles [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCCC ChemAxon formula C23H32O3 ChemAxon inchi InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1 ChemAxon inchikey RSEPBGGWRJCQGY-RBRWEJTLSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 102.89 ChemAxon polarizability 42.78 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 94191 Specdb::MsMs 94192 Specdb::MsMs 94193 Specdb::MsMs 158184 Specdb::MsMs 158185 Specdb::MsMs 158186 Specdb::MsMs 3220963 Specdb::MsMs 3220964 Specdb::MsMs 3220965 Specdb::MsMs 3606137 Specdb::MsMs 3606138 Specdb::MsMs 3606139 Potato Type 1 specific Solanum tuberosum 4113