1.0 2010-04-08 22:09:48 UTC 2025-11-18 23:30:35 UTC FDB011732 Cyclotricuspidogenin C Isolated from Passiflora edulis (passion fruit). Cyclotricuspidogenin C is found in fruits. Cyclopassifloic acid G Cyclotricuspidogenin C C31H52O7 536.7404 536.371304018 15-[5,6-dihydroxy-5-(propan-2-yl)hexan-2-yl]-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid 15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid 239794-30-0 CC(C)C(O)(CO)CCC(C)C1C(O)CC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O InChI=1S/C31H52O7/c1-17(2)30(38,16-32)10-9-18(3)24-19(33)14-27(5)20-7-8-21-28(6,25(36)37)22(34)13-23(35)31(21)15-29(20,31)12-11-26(24,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37) CPHVNLRAJPTYSD-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 16-hydroxysteroids 3-hydroxysteroids 4-carboxy steroids Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Fatty alcohols Hydrocarbon derivatives Hydroxy bile acids, alcohols and derivatives Monocarboxylic acids and derivatives Organic oxides Polyols Primary alcohols Secondary alcohols Tertiary alcohols Triterpenoids 1-hydroxysteroid 11-hydroxysteroid 15-hydroxysteroid 16-hydroxysteroid 24-hydroxysteroid 25-hydroxysteroid 3-hydroxysteroid 4-carboxy steroid 9b,19-cyclo-lanostane-skeleton Alcohol Aliphatic homopolycyclic compound Beta-hydroxy acid Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Cycloartane-skeleton Cycloartanol-skeleton Fatty acyl Fatty alcohol Hexahydroxy bile acid, alcohol, or derivatives Hydrocarbon derivative Hydroxy acid Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Polyol Primary alcohol Secondary alcohol Steroid acid Tertiary alcohol Triterpenoid logp 2.61 ALOGPS logs -4.36 ALOGPS solubility 2.34e-02 g/l ALOGPS logp 2.46 ChemAxon pka_strongest_acidic 4.33 ChemAxon pka_strongest_basic -0.51 ChemAxon iupac 15-[5,6-dihydroxy-5-(propan-2-yl)hexan-2-yl]-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid ChemAxon average_mass 536.7404 ChemAxon mono_mass 536.371304018 ChemAxon smiles CC(C)C(O)(CO)CCC(C)C1C(O)CC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O ChemAxon formula C31H52O7 ChemAxon inchi InChI=1S/C31H52O7/c1-17(2)30(38,16-32)10-9-18(3)24-19(33)14-27(5)20-7-8-21-28(6,25(36)37)22(34)13-23(35)31(21)15-29(20,31)12-11-26(24,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37) ChemAxon inchikey CPHVNLRAJPTYSD-UHFFFAOYSA-N ChemAxon polar_surface_area 138.45 ChemAxon refractivity 143.74 ChemAxon polarizability 62.02 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 45654 Specdb::MsMs 45655 Specdb::MsMs 45656 Specdb::MsMs 174111 Specdb::MsMs 174112 Specdb::MsMs 174113 Specdb::MsMs 2752603 Specdb::MsMs 2752604 Specdb::MsMs 2752605 Specdb::MsMs 2929842 Specdb::MsMs 2929843 Specdb::MsMs 2929844 Specdb::CMs 22891 Specdb::CMs 43401 Specdb::CMs 256761 Specdb::CMs 256762 Specdb::CMs 256763 Specdb::CMs 256764 Specdb::CMs 256765 Specdb::CMs 256766 Specdb::CMs 256767 Specdb::CMs 256768 Specdb::CMs 256769 Specdb::CMs 256770 Specdb::CMs 256771 Specdb::CMs 256772 Specdb::CMs 256773 Specdb::CMs 256774 Specdb::CMs 256775 Specdb::CMs 256776 Specdb::CMs 256777 Specdb::CMs 256778 Specdb::CMs 256779 Specdb::CMs 256780 Specdb::CMs 256781 Specdb::CMs 256782 Specdb::CMs 256783 HMDB0033635 Fruits Unknown generic