1.0 2010-04-08 22:15:07 UTC 2019-11-26 03:19:08 UTC FDB020564 3beta-Cycloartane-3,29-diol Constituent of Mangifera indica (mango). 3beta-Cycloartane-3,29-diol is found in fruits. C30H52O2 444.7327 444.396730908 7-(hydroxymethyl)-7,12,16-trimethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol 7-(hydroxymethyl)-7,12,16-trimethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol 157772-00-4 CC(C)CCCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)CO InChI=1S/C30H52O2/c1-20(2)8-7-9-21(3)22-12-14-28(6)24-11-10-23-26(4,19-31)25(32)13-15-29(23)18-30(24,29)17-16-27(22,28)5/h20-25,31-32H,7-19H2,1-6H3 HWVWXEOIUCFPQJ-UHFFFAOYSA-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 Primary alcohols 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 Primary alcohol Secondary alcohol Triterpenoid logp 6.31 ALOGPS logs -6.87 ALOGPS solubility 5.94e-05 g/l ALOGPS melting_point Mp 196-198° logp 6.67 ChemAxon pka_strongest_acidic 14.49 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 7-(hydroxymethyl)-7,12,16-trimethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol ChemAxon average_mass 444.7327 ChemAxon mono_mass 444.396730908 ChemAxon smiles CC(C)CCCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)CO ChemAxon formula C30H52O2 ChemAxon inchi InChI=1S/C30H52O2/c1-20(2)8-7-9-21(3)22-12-14-28(6)24-11-10-23-26(4,19-31)25(32)13-15-29(23)18-30(24,29)17-16-27(22,28)5/h20-25,31-32H,7-19H2,1-6H3 ChemAxon inchikey HWVWXEOIUCFPQJ-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 132.96 ChemAxon polarizability 56.73 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13833 Specdb::CMs 46945 Specdb::CMs 162545 Specdb::MsMs 12269 Specdb::MsMs 12270 Specdb::MsMs 12271 Specdb::MsMs 18941 Specdb::MsMs 18942 Specdb::MsMs 18943 Specdb::MsMs 2459938 Specdb::MsMs 2459939 Specdb::MsMs 2459940 Specdb::MsMs 2476181 Specdb::MsMs 2476182 Specdb::MsMs 2476183 HMDB40753 #<Reference:0x000055ce315ecd38> Fruits Unknown generic