1.0 2010-04-08 22:04:56 UTC 2018-05-28 22:10:25 UTC FDB001347 Neriantogenin Hydrolysis production from Convallaria majalis. Convallaria majalis is banned by the FDA from food use in the USA. Neriantogenin C23H32O4 372.4978 372.230059512 4-{5,12-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-13-en-14-yl}-2,5-dihydrofuran-2-one 4-{5,12-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-13-en-14-yl}-5H-furan-2-one CC12CCC3C(CCC4CC(O)CCC34C)C1C(O)C=C2C1=CC(=O)OC1 InChI=1S/C23H32O4/c1-22-7-5-15(24)10-14(22)3-4-16-17(22)6-8-23(2)18(11-19(25)21(16)23)13-9-20(26)27-12-13/h9,11,14-17,19,21,24-25H,3-8,10,12H2,1-2H3 LOUCJBIZSPLEFL-UHFFFAOYSA-N belongs to the class of organic compounds known as steroid lactones. These are sterol lipids containing a lactone moiety linked to the steroid skeleton. Steroid lactones Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Aliphatic heteropolycyclic compounds 3-hydroxysteroids Androgens and derivatives Butenolides Carbonyl compounds Cyclic alcohols and derivatives Enoate esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols 15-hydroxysteroid 2-furanone 3-hydroxysteroid Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Androgen-skeleton Androstane-skeleton Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dihydrofuran Enoate ester Hydrocarbon derivative Hydroxysteroid Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Steroid lactone logp 2.28 ALOGPS logs -4.19 ALOGPS solubility 2.39e-02 g/l ALOGPS melting_point Mp 255-259° logp 2.59 ChemAxon pka_strongest_acidic 7.25 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 4-{5,12-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-13-en-14-yl}-2,5-dihydrofuran-2-one ChemAxon average_mass 372.4978 ChemAxon mono_mass 372.230059512 ChemAxon smiles CC12CCC3C(CCC4CC(O)CCC34C)C1C(O)C=C2C1=CC(=O)OC1 ChemAxon formula C23H32O4 ChemAxon inchi InChI=1S/C23H32O4/c1-22-7-5-15(24)10-14(22)3-4-16-17(22)6-8-23(2)18(11-19(25)21(16)23)13-9-20(26)27-12-13/h9,11,14-17,19,21,24-25H,3-8,10,12H2,1-2H3 ChemAxon inchikey LOUCJBIZSPLEFL-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 104.48 ChemAxon polarizability 42.66 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11464 Specdb::CMs 41715 Specdb::CMs 132050 Specdb::CMs 139784 Specdb::MsMs 110115 Specdb::MsMs 110116 Specdb::MsMs 110117 Specdb::MsMs 177711 Specdb::MsMs 177712 Specdb::MsMs 177713 Specdb::MsMs 2710493 Specdb::MsMs 2710494 Specdb::MsMs 2710495 Specdb::MsMs 2995226 Specdb::MsMs 2995227 Specdb::MsMs 2995228 HMDB30044 #<Reference:0x000055ce31c9bdc8>