1.0 2010-04-08 22:07:24 UTC 2025-11-18 23:03:25 UTC FDB007020 24-Methylcycloartenol 24-methylcycloartenol belongs to cycloartanols and derivatives class of compounds. Those are steroids containing a cycloartanol moiety. 24-methylcycloartenol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 24-methylcycloartenol can be found in black elderberry and common grape, which makes 24-methylcycloartenol a potential biomarker for the consumption of these food products. C31H52O 440.744 440.401816286 (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5,6-dimethylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5,6-dimethylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCC(C)=C(C)C)CC[C@H](O)C3(C)C InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h22-26,32H,9-19H2,1-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1 CIBNJPPYSPYHDB-UEBIAWITSA-N belongs to the class of organic compounds known as cycloartanols and derivatives. These are steroids containing a cycloartanol moiety. Cycloartanols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cycloartanols and derivatives Aliphatic homopolycyclic compounds 3-beta-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Triterpenoids 3-beta-hydroxysteroid 3-hydroxysteroid 9b,19-cyclo-lanostane-skeleton Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Cycloartane-skeleton Cycloartanol-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 6.40 ALOGPS logs -6.56 ALOGPS solubility 1.21e-04 g/l ALOGPS logp 7.79 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5,6-dimethylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol ChemAxon average_mass 440.744 ChemAxon mono_mass 440.401816286 ChemAxon smiles [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCC(C)=C(C)C)CC[C@H](O)C3(C)C ChemAxon formula C31H52O ChemAxon inchi InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h22-26,32H,9-19H2,1-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1 ChemAxon inchikey CIBNJPPYSPYHDB-UEBIAWITSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 136.32 ChemAxon polarizability 56.78 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 68298 Specdb::MsMs 68299 Specdb::MsMs 68300 Specdb::MsMs 126291 Specdb::MsMs 126292 Specdb::MsMs 126293 Specdb::MsMs 3603566 Specdb::MsMs 3603567 Specdb::MsMs 3603568 Specdb::MsMs 3603569 Specdb::MsMs 3603570 Specdb::MsMs 3603571 Black elderberry Type 1 specific Sambucus nigra 4202 Common grape Type 1 specific Vitis vinifera 29760