1.0 2010-04-08 22:07:02 UTC 2019-11-26 03:01:01 UTC FDB006229 24-Methylene-cycloartanol palmitate 24-methylene-cycloartanol palmitate belongs to cycloartanols and derivatives class of compounds. Those are steroids containing a cycloartanol moiety. 24-methylene-cycloartanol palmitate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 24-methylene-cycloartanol palmitate can be found in french plantain, which makes 24-methylene-cycloartanol palmitate a potential biomarker for the consumption of this food product. 24-METHYLENE-CYCLOARTENOL-PALMITATE C47H82O2 679.1528 678.631481868 (1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl hexadecanoate (1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl hexadecanoate 143-20-4 [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](OC(=O)CCCCCCCCCCCCCCC)C3(C)C InChI=1S/C47H82O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-42(48)49-41-29-31-46-34-47(46)33-32-44(8)38(37(5)25-24-36(4)35(2)3)28-30-45(44,9)40(47)27-26-39(46)43(41,6)7/h35,37-41H,4,10-34H2,1-3,5-9H3/t37-,38-,39+,40+,41+,44-,45+,46-,47+/m1/s1 DSWGTWGCIOOKRQ-ULBDXNRZSA-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 Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Steroid esters Triterpenoids 9b,19-cyclo-lanostane-skeleton Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cycloartane-skeleton Cycloartanol-skeleton Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Steroid ester Triterpenoid logp 10.56 ALOGPS logs -7.61 ALOGPS solubility 1.66e-05 g/l ALOGPS logp 14.81 ChemAxon pka_strongest_basic -7 ChemAxon iupac (1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl hexadecanoate ChemAxon average_mass 679.1528 ChemAxon mono_mass 678.631481868 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](OC(=O)CCCCCCCCCCCCCCC)C3(C)C ChemAxon formula C47H82O2 ChemAxon inchi InChI=1S/C47H82O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-42(48)49-41-29-31-46-34-47(46)33-32-44(8)38(37(5)25-24-36(4)35(2)3)28-30-45(44,9)40(47)27-26-39(46)43(41,6)7/h35,37-41H,4,10-34H2,1-3,5-9H3/t37-,38-,39+,40+,41+,44-,45+,46-,47+/m1/s1 ChemAxon inchikey DSWGTWGCIOOKRQ-ULBDXNRZSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 209.1 ChemAxon polarizability 90.14 ChemAxon rotatable_bond_count 21 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 59439 Specdb::MsMs 59440 Specdb::MsMs 59441 Specdb::MsMs 115569 Specdb::MsMs 115570 Specdb::MsMs 115571 Specdb::MsMs 3602687 Specdb::MsMs 3602688 Specdb::MsMs 3602689 Specdb::MsMs 3602690 Specdb::MsMs 3602691 Specdb::MsMs 3602692 French plantain Type 1 specific Musa X paradisiaca 89151