1.0 2010-04-08 22:06:03 UTC 2019-11-26 02:59:44 UTC FDB004010 2,4-Methylene cholesterol 2,4-methylene cholesterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 2,4-methylene cholesterol can be found in a number of food items such as cucumber, french plantain, muskmelon, and corn, which makes 2,4-methylene cholesterol a potential biomarker for the consumption of these food products. C29H46O 410.6749 410.354866094 (2R,5S,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]-4,6-dimethylidenetetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol (2R,5S,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]-4,6-dimethylidenetetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol CC(C)CCC[C@@H](C)C1CCC2C3CC=C4C(=C)[C@@H](O)C(=C)C[C@]4(C)C3CC[C@]12C InChI=1S/C29H46O/c1-18(2)9-8-10-19(3)23-13-14-25-22-11-12-24-21(5)27(30)20(4)17-29(24,7)26(22)15-16-28(23,25)6/h12,18-19,22-23,25-27,30H,4-5,8-11,13-17H2,1-3,6-7H3/t19-,22?,23?,25?,26?,27+,28-,29+/m1/s1 QVMGGORUQUGORU-ACKWHCSXSA-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-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Secondary alcohols 3-beta-hydroxy-delta-5-steroid 3-beta-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cholesterol Cholesterol-skeleton Cyclic alcohol Delta-5-steroid Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol logp 7.03 ALOGPS logs -6.77 ALOGPS solubility 6.92e-05 g/l ALOGPS logp 7.3 ChemAxon pka_strongest_acidic 17.79 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac (2R,5S,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]-4,6-dimethylidenetetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol ChemAxon average_mass 410.6749 ChemAxon mono_mass 410.354866094 ChemAxon smiles CC(C)CCC[C@@H](C)C1CCC2C3CC=C4C(=C)[C@@H](O)C(=C)C[C@]4(C)C3CC[C@]12C ChemAxon formula C29H46O ChemAxon inchi InChI=1S/C29H46O/c1-18(2)9-8-10-19(3)23-13-14-25-22-11-12-24-21(5)27(30)20(4)17-29(24,7)26(22)15-16-28(23,25)6/h12,18-19,22-23,25-27,30H,4-5,8-11,13-17H2,1-3,6-7H3/t19-,22?,23?,25?,26?,27+,28-,29+/m1/s1 ChemAxon inchikey QVMGGORUQUGORU-ACKWHCSXSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 128.96 ChemAxon polarizability 52.91 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 82245 Specdb::MsMs 82246 Specdb::MsMs 82247 Specdb::MsMs 143559 Specdb::MsMs 143560 Specdb::MsMs 143561 Specdb::MsMs 3599783 Specdb::MsMs 3599784 Specdb::MsMs 3599785 Specdb::MsMs 3599786 Specdb::MsMs 3599787 Specdb::MsMs 3599788 Apple Type 1 specific Malus pumila 283210 Common pea Type 1 specific Pisum sativum 3888 Corn Type 1 specific Zea mays 4577 Cucumber Type 1 specific Cucumis sativus 3659 French plantain Type 1 specific Musa X paradisiaca 89151 Horseradish tree Type 1 specific Moringa oleifera 3735 Muskmelon Type 1 specific Cucumis melo 3656 Peanut Type 1 specific Arachis hypogaea 3818 Sunflower Type 1 specific Helianthus annuus 4232 Watermelon Type 1 specific Citrullus lanatus 3654