1.0 2010-04-08 22:12:45 UTC 2019-11-26 03:14:00 UTC FDB016975 (E)-26,27-Dinorergosta-4,22-dien-3-one Constituent of dried prawns (Nematopalaemon tenuipes). (E)-26,27-Dinorergosta-4,22-dien-3-one is found in crustaceans. C26H40O 368.5952 368.307915902 2,15-dimethyl-14-[(3E)-5-methylhex-3-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one 2,15-dimethyl-14-[(3E)-5-methylhex-3-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one CC(C)\C=C\C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C InChI=1S/C26H40O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,16-18,21-24H,8-15H2,1-5H3/b7-6+ FFRFYWBYDZTBDQ-VOTSOKGWSA-N belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. Gluco/mineralocorticoids, progestogins and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Aliphatic homopolycyclic compounds 3-oxo delta-4-steroids Cyclohexenones Delta-4-steroids Hydrocarbon derivatives Organic oxides 3-oxo-delta-4-steroid 3-oxosteroid Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Cyclohexenone Delta-4-steroid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Progestogin-skeleton logp 5.49 ALOGPS logs -6.93 ALOGPS solubility 4.35e-05 g/l ALOGPS logp 6.87 ChemAxon pka_strongest_acidic 19.09 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2,15-dimethyl-14-[(3E)-5-methylhex-3-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one ChemAxon average_mass 368.5952 ChemAxon mono_mass 368.307915902 ChemAxon smiles CC(C)\C=C\C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C ChemAxon formula C26H40O ChemAxon inchi InChI=1S/C26H40O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,16-18,21-24H,8-15H2,1-5H3/b7-6+ ChemAxon inchikey FFRFYWBYDZTBDQ-VOTSOKGWSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 116.08 ChemAxon polarizability 46.33 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23149 Specdb::CMs 157432 Specdb::MsMs 44658 Specdb::MsMs 44659 Specdb::MsMs 44660 Specdb::MsMs 165897 Specdb::MsMs 165898 Specdb::MsMs 165899 Specdb::MsMs 2428111 Specdb::MsMs 2428112 Specdb::MsMs 2428113 Specdb::MsMs 2511493 Specdb::MsMs 2511494 Specdb::MsMs 2511495 HMDB37826 #<Reference:0x000055ce32811d38> Crustaceans Unknown generic 6657