1.0 2010-04-08 22:14:29 UTC 2019-11-26 03:17:44 UTC FDB019637 Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one Constituent of Momordica cochinchinensis (Chinese cucumber). Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one is found in fruits. Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one C46H60O7 724.9644 724.433904274 [10-(4-methoxybenzoyloxy)-2,4a,6a,9,9,12a,14a-heptamethyl-7-oxo-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicen-2-yl]methyl 4-methoxybenzoate [10-(4-methoxybenzoyloxy)-2,4a,6a,9,9,12a,14a-heptamethyl-7-oxo-3,4,5,6,8,8a,10,11,12,13,14,14b-dodecahydro-1H-picen-2-yl]methyl 4-methoxybenzoate 361475-68-5 COC1=CC=C(C=C1)C(=O)OCC1(C)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(OC(=O)C2=CC=C(OC)C=C2)C(C)(C)C1CC4=O InChI=1S/C46H60O7/c1-41(2)35-26-34(47)38-33(44(35,5)20-19-37(41)53-40(49)30-12-16-32(51-9)17-13-30)18-21-45(6)36-27-42(3,22-23-43(36,4)24-25-46(38,45)7)28-52-39(48)29-10-14-31(50-8)15-11-29/h10-17,35-37H,18-28H2,1-9H3 XIPDKLJUGQQUJU-UHFFFAOYSA-N belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group. P-methoxybenzoic acids and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homopolycyclic compounds Alkyl aryl ethers Anisoles Benzoic acid esters Benzoyl derivatives Carboxylic acid esters Cyclohexenones Dicarboxylic acids and derivatives Hydrocarbon derivatives Methoxybenzenes Organic oxides Phenoxy compounds Alkyl aryl ether Anisole Aromatic homopolycyclic compound Benzoate ester Benzoyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclohexenone Dicarboxylic acid or derivatives Ether Hydrocarbon derivative Ketone Methoxybenzene Organic oxide Organic oxygen compound Organooxygen compound P-methoxybenzoic acid or derivatives Phenol ether Phenoxy compound logp 7.82 ALOGPS logs -7.16 ALOGPS solubility 5.06e-05 g/l ALOGPS melting_point Mp 212.5-213.5° logp 10.09 ChemAxon pka_strongest_acidic 19.67 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac [10-(4-methoxybenzoyloxy)-2,4a,6a,9,9,12a,14a-heptamethyl-7-oxo-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicen-2-yl]methyl 4-methoxybenzoate ChemAxon average_mass 724.9644 ChemAxon mono_mass 724.433904274 ChemAxon smiles COC1=CC=C(C=C1)C(=O)OCC1(C)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(OC(=O)C2=CC=C(OC)C=C2)C(C)(C)C1CC4=O ChemAxon formula C46H60O7 ChemAxon inchi InChI=1S/C46H60O7/c1-41(2)35-26-34(47)38-33(44(35,5)20-19-37(41)53-40(49)30-12-16-32(51-9)17-13-30)18-21-45(6)36-27-42(3,22-23-43(36,4)24-25-46(38,45)7)28-52-39(48)29-10-14-31(50-8)15-11-29/h10-17,35-37H,18-28H2,1-9H3 ChemAxon inchikey XIPDKLJUGQQUJU-UHFFFAOYSA-N ChemAxon polar_surface_area 88.13 ChemAxon refractivity 206.68 ChemAxon polarizability 84.81 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 5 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 294061 Specdb::MsMs 294062 Specdb::MsMs 294063 Specdb::MsMs 334687 Specdb::MsMs 334688 Specdb::MsMs 334689 Specdb::MsMs 3060025 Specdb::MsMs 3060026 Specdb::MsMs 3060027 Specdb::MsMs 3109758 Specdb::MsMs 3109759 Specdb::MsMs 3109760 HMDB39970 #<Reference:0x000055ce32984760> Fruits Unknown generic