1.0 2010-04-08 22:12:10 UTC 2025-11-19 01:20:17 UTC FDB015977 Mozambioside Isolated from beans of arabica coffee (Coffea arabica) and wild coffee species (Coffea pseudozanguebariae). Mozambioside is found in coffee and coffee products. Mozambioside C26H36O10 508.558 508.230847372 17-hydroxy-17-(hydroxymethyl)-12-methyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-10-one 17-hydroxy-17-(hydroxymethyl)-12-methyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-10-one 70717-95-2 CC12CC(=O)C3=C(C=CO3)C1CCC13CC(CC(OC4OC(CO)C(O)C(O)C4O)C21)C(O)(CO)C3 InChI=1S/C26H36O10/c1-24-8-15(29)21-13(3-5-34-21)14(24)2-4-25-7-12(26(33,10-25)11-28)6-16(22(24)25)35-23-20(32)19(31)18(30)17(9-27)36-23/h3,5,12,14,16-20,22-23,27-28,30-33H,2,4,6-11H2,1H3 FNIBRRHOZLASGI-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Naphthofurans Organic compounds Organoheterocyclic compounds Naphthofurans Aromatic heteropolycyclic compounds Acetals Aryl alkyl ketones Benzofurans Cyclic alcohols and derivatives Furans Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Acetal Alcohol Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzofuran Cyclic alcohol Furan Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide Naphthofuran O-glycosyl compound Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tertiary alcohol logp -0.77 ALOGPS logs -2.33 ALOGPS solubility 2.39e+00 g/l ALOGPS melting_point Mp 179.4-180.3° logp -1.4 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 17-hydroxy-17-(hydroxymethyl)-12-methyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-10-one ChemAxon average_mass 508.558 ChemAxon mono_mass 508.230847372 ChemAxon smiles CC12CC(=O)C3=C(C=CO3)C1CCC13CC(CC(OC4OC(CO)C(O)C(O)C4O)C21)C(O)(CO)C3 ChemAxon formula C26H36O10 ChemAxon inchi InChI=1S/C26H36O10/c1-24-8-15(29)21-13(3-5-34-21)14(24)2-4-25-7-12(26(33,10-25)11-28)6-16(22(24)25)35-23-20(32)19(31)18(30)17(9-27)36-23/h3,5,12,14,16-20,22-23,27-28,30-33H,2,4,6-11H2,1H3 ChemAxon inchikey FNIBRRHOZLASGI-UHFFFAOYSA-N ChemAxon polar_surface_area 170.05 ChemAxon refractivity 123.19 ChemAxon polarizability 51.99 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24259 Specdb::CMs 45170 Specdb::NmrOneD 138170 Specdb::NmrOneD 138171 Specdb::NmrOneD 138172 Specdb::NmrOneD 138173 Specdb::NmrOneD 138174 Specdb::NmrOneD 138175 Specdb::NmrOneD 138176 Specdb::NmrOneD 138177 Specdb::NmrOneD 138178 Specdb::NmrOneD 138179 Specdb::NmrOneD 138180 Specdb::NmrOneD 138181 Specdb::NmrOneD 138182 Specdb::NmrOneD 138183 Specdb::NmrOneD 138184 Specdb::NmrOneD 138185 Specdb::NmrOneD 138186 Specdb::NmrOneD 138187 Specdb::NmrOneD 138188 Specdb::NmrOneD 138189 Specdb::MsMs 7511 Specdb::MsMs 7512 Specdb::MsMs 7513 Specdb::MsMs 14183 Specdb::MsMs 14184 Specdb::MsMs 14185 Specdb::MsMs 3043339 Specdb::MsMs 3043340 Specdb::MsMs 3043341 Specdb::MsMs 3099583 Specdb::MsMs 3099584 Specdb::MsMs 3099585 HMDB37002 #<Reference:0x000055ce30625788> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390