1.0 2010-04-08 22:06:14 UTC 2019-11-26 03:00:00 UTC FDB004407 24-Methyl-lathosterol 24-methyl-lathosterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 24-methyl-lathosterol can be found in a number of food items such as tea, cucumber, sunflower, and muskmelon, which makes 24-methyl-lathosterol a potential biomarker for the consumption of these food products. C28H48O 400.6801 400.370516158 (2S,5S,7S,15R)-14-[(2R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol (2S,5S,7S,15R)-14-[(2R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol [H][C@@]12CC=C3C4CCC([C@H](C)CCC(C)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](O)C2 InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3/t19?,20-,21+,22+,24?,25?,26?,27+,28-/m1/s1 PUGBZUWUTZUUCP-RPTCDFQTSA-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-beta-hydroxysteroids 3-hydroxy delta-7-steroids Cyclic alcohols and derivatives Delta-7-steroids Hydrocarbon derivatives Secondary alcohols 3-beta-hydroxysteroid 3-hydroxy-delta-7-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Delta-7-steroid Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol logp 7.49 ALOGPS logs -7.16 ALOGPS solubility 2.79e-05 g/l ALOGPS logp 7.4 ChemAxon pka_strongest_acidic 18.36 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (2S,5S,7S,15R)-14-[(2R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol ChemAxon average_mass 400.6801 ChemAxon mono_mass 400.370516158 ChemAxon smiles [H][C@@]12CC=C3C4CCC([C@H](C)CCC(C)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](O)C2 ChemAxon formula C28H48O ChemAxon inchi InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3/t19?,20-,21+,22+,24?,25?,26?,27+,28-/m1/s1 ChemAxon inchikey PUGBZUWUTZUUCP-RPTCDFQTSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 125.17 ChemAxon polarizability 52.07 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 104718 Specdb::MsMs 104719 Specdb::MsMs 104720 Specdb::MsMs 171054 Specdb::MsMs 171055 Specdb::MsMs 171056 Specdb::MsMs 3600437 Specdb::MsMs 3600438 Specdb::MsMs 3600439 Specdb::MsMs 3600440 Specdb::MsMs 3600441 Specdb::MsMs 3600442 Amaranth Type 1 specific Amaranthus 3564 Annual wild rice Type 1 specific Zizania aquatica 75727 Barley Type 1 specific Hordeum vulgare 4513 Black tea Type 1 Breakfast cereal Type 2 specific Bulgur Type 2 specific Cereals and cereal products Unknown generic Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Cucumber Type 1 specific Cucumis sativus 3659 Flour Type 2 specific Green tea Type 1 Hard wheat Type 1 specific Triticum durum 4567 Herbal tea Type 1 Millet Type 1 specific Panicum miliaceum 4540 Muskmelon Type 1 specific Cucumis melo 3656 Oat Type 1 specific Avena sativa 4498 Oriental wheat Type 1 specific Triticum turanicum 376534 Quinoa Type 1 specific Chenopodium quinoa 63459 Red rice Type 1 specific Oryza rufipogon 4529 Red tea Type 1 Rice Type 1 specific Oryza sativa 4530 Rye Type 1 specific Secale cereale 4550 Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Spelt Type 1 specific Triticum spelta 58933 Sunflower Type 1 specific Helianthus annuus 4232 Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Tea Type 1 specific Camellia sinensis 4442 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Watermelon Type 1 specific Citrullus lanatus 3654 Wheat Type 1 specific Triticum 4564 Wild rice Type 1 specific Zizania 15949