1.0 2010-04-08 22:05:26 UTC 2019-11-26 02:57:39 UTC FDB002588 (3beta,4alpha,5alpha,23E)-4,14-Dimethyl-9,19-cycloergost-23-en-3-ol Isolated from olive oil and sweet corn (Zea mays). (3beta,4alpha,5alpha,23E)-4,14-Dimethyl-9,19-cycloergost-23-en-3-ol is found in cereals and cereal products, fats and oils, and fruits. C30H50O 426.7174 426.386166222 15-[(4E)-5,6-dimethylhept-4-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol 15-[(4E)-5,6-dimethylhept-4-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol 77704-67-7 CC(C)C(\C)=C\CC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC44CC34CCC12C InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h8,19,21-26,31H,9-18H2,1-7H3/b20-8+ PAIRQWYDVRILJI-DNTJNYDQSA-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-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Triterpenoids 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 6.71 ALOGPS logs -7.05 ALOGPS solubility 3.80e-05 g/l ALOGPS logp 7.46 ChemAxon pka_strongest_acidic 18.89 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 15-[(4E)-5,6-dimethylhept-4-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles CC(C)C(\C)=C\CC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC44CC34CCC12C ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h8,19,21-26,31H,9-18H2,1-7H3/b20-8+ ChemAxon inchikey PAIRQWYDVRILJI-DNTJNYDQSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 132.18 ChemAxon polarizability 54.94 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72573 Specdb::MsMs 72574 Specdb::MsMs 72575 Specdb::MsMs 131541 Specdb::MsMs 131542 Specdb::MsMs 131543 Specdb::MsMs 2823188 Specdb::MsMs 2823189 Specdb::MsMs 2823190 Specdb::MsMs 2858891 Specdb::MsMs 2858892 Specdb::MsMs 2858893 Specdb::CMs 26603 Specdb::CMs 42078 Specdb::CMs 161871 HMDB30674 #<Reference:0x000055ce322a7f00> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Fats and oils Unknown generic Fruits Unknown generic