1.0 2010-04-08 22:07:28 UTC 2019-11-26 03:01:32 UTC FDB007158 24(28)-Dehydromakisterone 24(28)-dehydromakisterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 24(28)-dehydromakisterone can be found in spinach, which makes 24(28)-dehydromakisterone a potential biomarker for the consumption of this food product. C28H44O7 492.6448 492.308703762 (2R,4S,5R,7R,11S,14S,15R)-4,5,11-trihydroxy-2,15-dimethyl-14-[(2R,3R)-2,3,6-trihydroxy-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one (2R,4S,5R,7R,11S,14S,15R)-4,5,11-trihydroxy-2,15-dimethyl-14-[(2R,3R)-2,3,6-trihydroxy-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)[C@@](C)(O)[C@H](O)CC(=C)C(C)(C)O InChI=1S/C28H44O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,16,18,20-23,30-35H,1,7-11,13-14H2,2-6H3/t16?,18-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1 XTSYLJLNVWBIFH-RPAREISOSA-N belongs to the class of organic compounds known as hydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing at least hydroxyl group. Hydroxy bile acids, alcohols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Aliphatic homopolycyclic compounds 14-hydroxysteroids 3-beta-hydroxysteroids 3-hydroxy delta-7-steroids 6-oxosteroids Cyclic alcohols and derivatives Cyclohexenones Delta-7-steroids Ecdysteroids Ergosterols and derivatives Hydrocarbon derivatives Organic oxides Polyols Secondary alcohols Tertiary alcohols 14-hydroxysteroid 2-hydroxysteroid 20-hydroxysteroid 22-hydroxysteroid 25-hydroxysteroid 3-beta-hydroxysteroid 3-hydroxy-delta-7-steroid 3-hydroxysteroid 6-oxosteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Cyclohexenone Delta-7-steroid Ecdysteroid Ergostane-skeleton Ergosterol-skeleton Hexahydroxy bile acid, alcohol, or derivatives Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Polyol Secondary alcohol Tertiary alcohol logp 1.24 ALOGPS logs -2.99 ALOGPS solubility 5.06e-01 g/l ALOGPS logp 0.71 ChemAxon pka_strongest_acidic 13.23 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (2R,4S,5R,7R,11S,14S,15R)-4,5,11-trihydroxy-2,15-dimethyl-14-[(2R,3R)-2,3,6-trihydroxy-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one ChemAxon average_mass 492.6448 ChemAxon mono_mass 492.308703762 ChemAxon smiles [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)[C@@](C)(O)[C@H](O)CC(=C)C(C)(C)O ChemAxon formula C28H44O7 ChemAxon inchi InChI=1S/C28H44O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,16,18,20-23,30-35H,1,7-11,13-14H2,2-6H3/t16?,18-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1 ChemAxon inchikey XTSYLJLNVWBIFH-RPAREISOSA-N ChemAxon polar_surface_area 138.45 ChemAxon refractivity 133.05 ChemAxon polarizability 55.52 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72360 Specdb::MsMs 72361 Specdb::MsMs 72362 Specdb::MsMs 131244 Specdb::MsMs 131245 Specdb::MsMs 131246 Specdb::MsMs 3603746 Specdb::MsMs 3603747 Specdb::MsMs 3603748 Specdb::MsMs 3603749 Specdb::MsMs 3603750 Specdb::MsMs 3603751 Spinach Type 1 specific Spinacia oleracea 3562