1.0 2010-04-08 22:06:19 UTC 2025-11-18 22:56:56 UTC FDB004622 31-nor-Lanost-8-en-3beta-ol 31-nor-lanost-8-en-3beta-ol, also known as 4-methyl-5alpha-cholesta-8(9),24-dien-3beta-ol, belongs to cholesterols and derivatives class of compounds. Those are compounds containing a 3-hydroxylated cholestane core. 31-nor-lanost-8-en-3beta-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 31-nor-lanost-8-en-3beta-ol can be found in a number of food items such as orange bell pepper, red bell pepper, pepper (c. annuum), and green bell pepper, which makes 31-nor-lanost-8-en-3beta-ol a potential biomarker for the consumption of these food products. C28H46O 398.6642 398.354866094 (2S,5S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-ol 4-methylzymosterol [H][C@@]12CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])C(C)[C@@H](O)CC[C@]12C InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24,26,29H,7,9-17H2,1-6H3/t19-,20?,22-,23+,24+,26+,27-,28+/m1/s1 FOUJWBXBKVVHCJ-UTTOWGKWSA-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-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cholesterol-skeleton Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol 3beta-hydroxy steroid logp 6.52 ALOGPS logs -5.75 ALOGPS solubility 7.04e-04 g/l ALOGPS logp 7.03 ChemAxon pka_strongest_acidic 18.96 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (2S,5S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-ol ChemAxon average_mass 398.6642 ChemAxon mono_mass 398.354866094 ChemAxon smiles [H][C@@]12CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])C(C)[C@@H](O)CC[C@]12C ChemAxon formula C28H46O ChemAxon inchi InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24,26,29H,7,9-17H2,1-6H3/t19-,20?,22-,23+,24+,26+,27-,28+/m1/s1 ChemAxon inchikey FOUJWBXBKVVHCJ-UTTOWGKWSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 125.67 ChemAxon polarizability 51.41 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 57171 Specdb::MsMs 57172 Specdb::MsMs 57173 Specdb::MsMs 112764 Specdb::MsMs 112765 Specdb::MsMs 112766 Specdb::MsMs 3600719 Specdb::MsMs 3600720 Specdb::MsMs 3600721 Specdb::MsMs 3600722 Specdb::MsMs 3600723 Specdb::MsMs 3600724 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Green bell pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072