1.0 2010-04-08 22:11:07 UTC 2019-11-26 03:09:37 UTC FDB014173 (1beta,2alpha,3alpha)-1,2,3,24-Tetrahydroxy-12-oleanen-28-oic acid Constituent of nectarine fruits (Prunus persica cv. Fantasia). (1beta,2alpha,3alpha)-1,2,3,24-Tetrahydroxy-12-oleanen-28-oic acid is found in citrus. C30H48O6 504.6985 504.345089268 10,11,12-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid 10,11,12-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid 254098-66-3 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(CO)C5CCC34C)C2C1)C(O)=O InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-28(27,5)10-9-19-26(3,16-31)22(33)21(32)23(34)29(19,20)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36) YOGUTEYZFFDORB-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic homopolycyclic compounds 11-hydroxysteroids 12-hydroxysteroids Carbonyl compounds Carboxylic acids Cyclitols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Polyols Primary alcohols Secondary alcohols 11-hydroxysteroid 12-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Cyclitol or derivatives Hydrocarbon derivative Hydroxysteroid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Polyol Primary alcohol Secondary alcohol Steroid Triterpenoid logp 4.11 ALOGPS logs -4.18 ALOGPS solubility 3.31e-02 g/l ALOGPS logp 3.32 ChemAxon pka_strongest_acidic 4.61 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 10,11,12-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid ChemAxon average_mass 504.6985 ChemAxon mono_mass 504.345089268 ChemAxon smiles CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(CO)C5CCC34C)C2C1)C(O)=O ChemAxon formula C30H48O6 ChemAxon inchi InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-28(27,5)10-9-19-26(3,16-31)22(33)21(32)23(34)29(19,20)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36) ChemAxon inchikey YOGUTEYZFFDORB-UHFFFAOYSA-N ChemAxon polar_surface_area 118.22 ChemAxon refractivity 137.97 ChemAxon polarizability 57.42 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17621 Specdb::CMs 44411 Specdb::MsMs 13142 Specdb::MsMs 13143 Specdb::MsMs 13144 Specdb::MsMs 19814 Specdb::MsMs 19815 Specdb::MsMs 19816 Specdb::MsMs 2310692 Specdb::MsMs 2310693 Specdb::MsMs 2310694 Specdb::MsMs 2651174 Specdb::MsMs 2651175 Specdb::MsMs 2651176 HMDB35487 #<Reference:0x000055ce316aa338> Citrus Unknown generic