1.0 2010-04-08 22:11:30 UTC 2019-11-26 03:10:50 UTC FDB014852 7alpha-1(10->19)-Abeo-7-acetoxyobacun-9(11)-ene Constituent of the fruits of a Citrus-Poncirus hybrid. 7alpha-1(10->19)-Abeo-7-acetoxyobacun-9(11)-ene is found in citrus. C28H32O8 496.5489 496.209718 (4Z)-18-(furan-3-yl)-8,8,12,19-tetramethyl-6,16-dioxo-7,14,17-trioxapentacyclo[10.9.0.0²,⁹.0¹³,¹⁵.0¹³,¹⁹]henicosa-1(21),4-dien-11-yl acetate (4Z)-18-(furan-3-yl)-8,8,12,19-tetramethyl-6,16-dioxo-7,14,17-trioxapentacyclo[10.9.0.0²,⁹.0¹³,¹⁵.0¹³,¹⁹]henicosa-1(21),4-dien-11-yl acetate 85643-97-6 CC(=O)OC1CC2C(C\C=C/C(=O)OC2(C)C)C2=CCC3(C)C(OC(=O)C4OC34C12C)C1=COC=C1 InChI=1S/C28H32O8/c1-15(29)33-20-13-19-17(7-6-8-21(30)35-25(19,2)3)18-9-11-26(4)22(16-10-12-32-14-16)34-24(31)23-28(26,36-23)27(18,20)5/h6,8-10,12,14,17,19-20,22-23H,7,11,13H2,1-5H3/b8-6- VIZDPIMTQWFZEF-VURMDHGXSA-N belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Naphthopyrans Organic compounds Organoheterocyclic compounds Naphthopyrans Aromatic heteropolycyclic compounds 1,4-dioxepanes Carbonyl compounds Delta valerolactones Dialkyl ethers Enoate esters Epoxides Furans Heteroaromatic compounds Hydrocarbon derivatives Naphthalenes Organic oxides Oxacyclic compounds Oxanes Pyrans Tricarboxylic acids and derivatives 1,4-dioxepane Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Dialkyl ether Dioxepane Enoate ester Ether Furan Heteroaromatic compound Hydrocarbon derivative Lactone Naphthalene Naphthopyran Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Oxirane Pyran Tricarboxylic acid or derivatives logp 4.16 ALOGPS logs -4.48 ALOGPS solubility 1.64e-02 g/l ALOGPS logp 3.5 ChemAxon pka_strongest_acidic 19.09 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac (4Z)-18-(furan-3-yl)-8,8,12,19-tetramethyl-6,16-dioxo-7,14,17-trioxapentacyclo[10.9.0.0²,⁹.0¹³,¹⁵.0¹³,¹⁹]henicosa-1(21),4-dien-11-yl acetate ChemAxon average_mass 496.5489 ChemAxon mono_mass 496.209718 ChemAxon smiles CC(=O)OC1CC2C(C\C=C/C(=O)OC2(C)C)C2=CCC3(C)C(OC(=O)C4OC34C12C)C1=COC=C1 ChemAxon formula C28H32O8 ChemAxon inchi InChI=1S/C28H32O8/c1-15(29)33-20-13-19-17(7-6-8-21(30)35-25(19,2)3)18-9-11-26(4)22(16-10-12-32-14-16)34-24(31)23-28(26,36-23)27(18,20)5/h6,8-10,12,14,17,19-20,22-23H,7,11,13H2,1-5H3/b8-6- ChemAxon inchikey VIZDPIMTQWFZEF-VURMDHGXSA-N ChemAxon polar_surface_area 104.57 ChemAxon refractivity 127.14 ChemAxon polarizability 51.04 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14361 Specdb::CMs 130440 Specdb::CMs 138174 Specdb::MsMs 50421 Specdb::MsMs 50422 Specdb::MsMs 50423 Specdb::MsMs 135531 Specdb::MsMs 135532 Specdb::MsMs 135533 Specdb::MsMs 2815246 Specdb::MsMs 2815247 Specdb::MsMs 2815248 Specdb::MsMs 2893040 Specdb::MsMs 2893041 Specdb::MsMs 2893042 HMDB36033 #<Reference:0x000055ce31f13808> Citrus Unknown generic