1.0 2010-04-08 22:07:11 UTC 2019-11-26 03:01:11 UTC FDB006550 6beta-Hydroxycampest-4-ene-3-one 6beta-hydroxycampest-4-ene-3-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6beta-hydroxycampest-4-ene-3-one can be found in date, which makes 6beta-hydroxycampest-4-ene-3-one a potential biomarker for the consumption of this food product. C28H46O2 414.6636 414.349780716 (2R,8R,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one (2R,8R,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3C[C@@H](O)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h15,17-19,21-24,26,30H,7-14,16H2,1-6H3/t18-,19-,21?,22?,23?,24?,26-,27-,28-/m1/s1 GDTCMKSKBJMNJH-BNPHSUEZSA-N belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Ergosterols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Aliphatic homopolycyclic compounds 3-oxo delta-4-steroids 6-hydroxysteroids Cyclic alcohols and derivatives Cyclohexenones Delta-4-steroids Hydrocarbon derivatives Organic oxides Secondary alcohols 3-oxo-delta-4-steroid 3-oxosteroid 6-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Cyclic ketone Cyclohexenone Delta-4-steroid Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Secondary alcohol logp 5.81 ALOGPS logs -6.73 ALOGPS solubility 7.70e-05 g/l ALOGPS logp 6.74 ChemAxon pka_strongest_acidic 14.55 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,8R,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one ChemAxon average_mass 414.6636 ChemAxon mono_mass 414.349780716 ChemAxon smiles CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3C[C@@H](O)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C ChemAxon formula C28H46O2 ChemAxon inchi InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h15,17-19,21-24,26,30H,7-14,16H2,1-6H3/t18-,19-,21?,22?,23?,24?,26-,27-,28-/m1/s1 ChemAxon inchikey GDTCMKSKBJMNJH-BNPHSUEZSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 125.63 ChemAxon polarizability 51.85 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 68652 Specdb::MsMs 68653 Specdb::MsMs 68654 Specdb::MsMs 126729 Specdb::MsMs 126730 Specdb::MsMs 126731 Specdb::MsMs 3603059 Specdb::MsMs 3603060 Specdb::MsMs 3603061 Specdb::MsMs 3604019 Specdb::MsMs 3604020 Specdb::MsMs 3604021 Date Type 1 specific Phoenix dactylifera 42345