1.0 2010-04-08 22:08:07 UTC 2019-11-26 03:02:41 UTC FDB008518 3-O-trans-Feruloyleuscaphic acid Constituent of Eriobotrya japonica (loquat). 3-O-trans-Feruloyleuscaphic acid is found in fruits. 3-O-trans-Feruloyleuscaphic acid C40H56O8 664.8678 664.397518768 1,11-dihydroxy-10-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid 1,11-dihydroxy-10-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid COC1=C(O)C=CC(\C=C\C(=O)OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5C(C)(O)C(C)CCC5(CCC43C)C(O)=O)C2(C)C)=C1 InChI=1S/C40H56O8/c1-23-15-18-40(34(44)45)20-19-37(5)25(32(40)39(23,7)46)11-13-30-36(4)22-27(42)33(35(2,3)29(36)16-17-38(30,37)6)48-31(43)14-10-24-9-12-26(41)28(21-24)47-8/h9-12,14,21,23,27,29-30,32-33,41-42,46H,13,15-20,22H2,1-8H3,(H,44,45)/b14-10+ ZLJNDEAZTHKUBC-GXDHUFHOSA-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 Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acids Cinnamic acid esters Coumaric acids and derivatives Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Phenoxy compounds Secondary alcohols Styrenes Tertiary alcohols 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic homopolycyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Cyclic alcohol Dicarboxylic acid or derivatives Enoate ester Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Hydroxycinnamic acid or derivatives Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Secondary alcohol Styrene Tertiary alcohol Triterpenoid logp 6.27 ALOGPS logs -5.84 ALOGPS solubility 9.68e-04 g/l ALOGPS melting_point Mp 185-190° dec. logp 6.84 ChemAxon pka_strongest_acidic 4.64 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,11-dihydroxy-10-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-1,2,6a,6b,9,9,12a-heptamethyl-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 664.8678 ChemAxon mono_mass 664.397518768 ChemAxon smiles COC1=C(O)C=CC(\C=C\C(=O)OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5C(C)(O)C(C)CCC5(CCC43C)C(O)=O)C2(C)C)=C1 ChemAxon formula C40H56O8 ChemAxon inchi InChI=1S/C40H56O8/c1-23-15-18-40(34(44)45)20-19-37(5)25(32(40)39(23,7)46)11-13-30-36(4)22-27(42)33(35(2,3)29(36)16-17-38(30,37)6)48-31(43)14-10-24-9-12-26(41)28(21-24)47-8/h9-12,14,21,23,27,29-30,32-33,41-42,46H,13,15-20,22H2,1-8H3,(H,44,45)/b14-10+ ChemAxon inchikey ZLJNDEAZTHKUBC-GXDHUFHOSA-N ChemAxon polar_surface_area 133.52 ChemAxon refractivity 184.68 ChemAxon polarizability 76.01 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15896 Specdb::CMs 676393 Specdb::CMs 676394 Specdb::CMs 676395 Specdb::CMs 676396 Specdb::CMs 676397 Specdb::CMs 676398 Specdb::CMs 676399 Specdb::CMs 676400 Specdb::CMs 676401 Specdb::CMs 676402 Specdb::CMs 676403 Specdb::CMs 676404 Specdb::CMs 676405 Specdb::CMs 676406 Specdb::CMs 676407 Specdb::CMs 676408 Specdb::CMs 676409 Specdb::CMs 676410 Specdb::CMs 676411 Specdb::CMs 676412 Specdb::CMs 676413 Specdb::CMs 676414 Specdb::CMs 676415 Specdb::CMs 676416 Specdb::MsMs 100818 Specdb::MsMs 100819 Specdb::MsMs 100820 Specdb::MsMs 166263 Specdb::MsMs 166264 Specdb::MsMs 166265 Specdb::MsMs 3038126 Specdb::MsMs 3038127 Specdb::MsMs 3038128 Specdb::MsMs 3105764 Specdb::MsMs 3105765 Specdb::MsMs 3105766 HMDB31837 #<Reference:0x000055ce32bcfa38> Fruits Unknown generic