1.0 2010-04-08 22:11:27 UTC 2019-11-26 03:10:44 UTC FDB014773 Cycloartanol Minor constituent of rice bran oil. Cycloartanol is found in many foods, some of which are yellow bell pepper, orange bell pepper, garden onion, and cereals and cereal products. 9b,19-Cyclolanostan-3b-ol Cycloartan-3b-ol C30H52O 428.7333 428.401816286 (1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylheptan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol (1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylheptan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol 4657-58-3 [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCCC(C)C)CC[C@H](O)C3(C)C InChI=1S/C30H52O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h20-25,31H,8-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1 YABASAWVVRQMEU-YBXTVTTCSA-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 6.85 ALOGPS logs -7.35 ALOGPS solubility 1.93e-05 g/l ALOGPS melting_point Mp 101-102° logp 7.95 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac (1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylheptan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol ChemAxon average_mass 428.7333 ChemAxon mono_mass 428.401816286 ChemAxon smiles [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCCC(C)C)CC[C@H](O)C3(C)C ChemAxon formula C30H52O ChemAxon inchi InChI=1S/C30H52O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h20-25,31H,8-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1 ChemAxon inchikey YABASAWVVRQMEU-YBXTVTTCSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 131.18 ChemAxon polarizability 55.85 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18105 Specdb::CMs 44660 Specdb::CMs 151308 Specdb::MsMs 73155 Specdb::MsMs 73156 Specdb::MsMs 73157 Specdb::MsMs 132261 Specdb::MsMs 132262 Specdb::MsMs 132263 Specdb::MsMs 2333036 Specdb::MsMs 2333037 Specdb::MsMs 2333038 Specdb::MsMs 2633474 Specdb::MsMs 2633475 Specdb::MsMs 2633476 HMDB35969 #<Reference:0x000055ce31ffd1b0> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Dandelion Type 1 specific Taraxacum officinale 50225 Eggplant Type 1 specific Solanum melongena 4111 Fats and oils Unknown generic Garden onion Type 1 specific Allium cepa 4679 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 Papaya Type 1 specific Carica papaya 3649 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Rice Type 1 specific Oryza sativa 4530 Soy bean Type 1 specific Glycine max 3847 Yellow bell pepper Type 1 specific Capsicum annuum 4072