1.0 2010-04-08 22:10:21 UTC 2019-11-26 03:07:36 UTC FDB012789 5alpha-Cholest-7-en-3-one Isolated from butterfat. 5alpha-Cholest-7-en-3-one is found in milk and milk products. (5-alpha)-Cholest-7-en-3-one C27H44O 384.6377 384.33921603 2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-one 2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-one 15459-85-5 CC(C)CCCC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC12C InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-20,23-25H,6-9,11-17H2,1-5H3 FLRPNSKUGCVRRB-UHFFFAOYSA-N belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Cholesterols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Aliphatic homopolycyclic compounds 3-oxo delta-7-steroids Cyclic ketones Delta-7-steroids Hydrocarbon derivatives Organic oxides 3-oxo-delta-7-steroid 3-oxosteroid Aliphatic homopolycyclic compound Carbonyl group Cholesterol-skeleton Cyclic ketone Delta-7-steroid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid logp 7.40 ALOGPS logs -7.04 ALOGPS solubility 3.50e-05 g/l ALOGPS melting_point Mp 148° logp 7.32 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-one ChemAxon average_mass 384.6377 ChemAxon mono_mass 384.33921603 ChemAxon smiles CC(C)CCCC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC12C ChemAxon formula C27H44O ChemAxon inchi InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-20,23-25H,6-9,11-17H2,1-5H3 ChemAxon inchikey FLRPNSKUGCVRRB-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 119.59 ChemAxon polarizability 48.82 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24261 Specdb::CMs 170998 Specdb::MsMs 107559 Specdb::MsMs 107560 Specdb::MsMs 107561 Specdb::MsMs 174558 Specdb::MsMs 174559 Specdb::MsMs 174560 Specdb::MsMs 2749477 Specdb::MsMs 2749478 Specdb::MsMs 2749479 Specdb::MsMs 2933319 Specdb::MsMs 2933320 Specdb::MsMs 2933321 HMDB34399 #<Reference:0x000055ce306c1d40> Milk and milk products Unknown generic