1.0 2010-04-08 22:11:27 UTC 2019-11-26 03:10:42 UTC FDB014751 Cyclopassifloic acid D Constituent of Passiflora edulis (passion fruit). Cyclopassifloic acid D is found in fruits. Cyclopassifloic acid D C30H48O6 504.6985 504.345089268 4,6-dihydroxy-15-(3-hydroxy-6-methyl-5-oxoheptan-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid 4,6-dihydroxy-15-(3-hydroxy-6-methyl-5-oxoheptan-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid 292167-37-4 CC(C)C(=O)CC(O)C(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O InChI=1S/C30H48O6/c1-16(2)19(31)13-20(32)17(3)18-9-10-27(5)21-7-8-22-28(6,25(35)36)23(33)14-24(34)30(22)15-29(21,30)12-11-26(18,27)4/h16-18,20-24,32-34H,7-15H2,1-6H3,(H,35,36) ULQMFCLUVWBZLS-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 1-hydroxysteroids 11-hydroxysteroids 3-hydroxysteroids 4-carboxy steroids Beta hydroxy acids and derivatives Beta-hydroxy ketones Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxosteroids Pentahydroxy bile acids, alcohols and derivatives Secondary alcohols Triterpenoids 1-hydroxysteroid 11-hydroxysteroid 15-hydroxysteroid 22-hydroxysteroid 24-oxosteroid 3-hydroxysteroid 4-carboxy steroid 9b,19-cyclo-lanostane-skeleton Alcohol Aliphatic homopolycyclic compound Beta-hydroxy acid Beta-hydroxy ketone Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Cycloartane-skeleton Cycloartanol-skeleton Hydrocarbon derivative Hydroxy acid Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Pentahydroxy bile acid, alcohol, or derivatives Secondary alcohol Steroid acid Triterpenoid logp 3.59 ALOGPS logs -4.73 ALOGPS solubility 9.37e-03 g/l ALOGPS melting_point Mp 202-203° logp 3.77 ChemAxon pka_strongest_acidic 4.46 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 4,6-dihydroxy-15-(3-hydroxy-6-methyl-5-oxoheptan-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid ChemAxon average_mass 504.6985 ChemAxon mono_mass 504.345089268 ChemAxon smiles CC(C)C(=O)CC(O)C(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O ChemAxon formula C30H48O6 ChemAxon inchi InChI=1S/C30H48O6/c1-16(2)19(31)13-20(32)17(3)18-9-10-27(5)21-7-8-22-28(6,25(35)36)23(33)14-24(34)30(22)15-29(21,30)12-11-26(18,27)4/h16-18,20-24,32-34H,7-15H2,1-6H3,(H,35,36) ChemAxon inchikey ULQMFCLUVWBZLS-UHFFFAOYSA-N ChemAxon polar_surface_area 115.06 ChemAxon refractivity 136.48 ChemAxon polarizability 57.74 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25642 Specdb::CMs 44651 Specdb::MsMs 88311 Specdb::MsMs 88312 Specdb::MsMs 88313 Specdb::MsMs 151008 Specdb::MsMs 151009 Specdb::MsMs 151010 Specdb::MsMs 2303601 Specdb::MsMs 2303602 Specdb::MsMs 2303603 Specdb::MsMs 3065960 Specdb::MsMs 3065961 Specdb::MsMs 3065962 HMDB35948 #<Reference:0x000055ce304b63e8> Fruits Unknown generic