1.0 2010-04-08 22:15:45 UTC 2025-11-19 02:38:17 UTC FDB021510 Eremosulphoxinolide A Constituent of Petasites japonicus (sweet coltsfoot). Eremosulphoxinolide A is found in green vegetables. 3b-(3-Methylsulfinyl-2-propenoyloxy)-6a-angeloyloxy-7(11)-eremophilen-12,8-olide Eremosulphoxinolide A C24H32O7S 464.572 464.186874068 6-{[(2E)-3-methanesulfinylprop-2-enoyl]oxy}-3,4a,5-trimethyl-2-oxo-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-4-yl (2E)-2-methylbut-2-enoate 6-{[(2E)-3-methanesulfinylprop-2-enoyl]oxy}-3,4a,5-trimethyl-2-oxo-4H,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-4-yl (2E)-2-methylbut-2-enoate 182127-79-3 C\C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(OC(=O)\C=C\S(C)=O)C(C)C12C InChI=1S/C24H32O7S/c1-7-13(2)22(26)31-21-20-14(3)23(27)30-18(20)12-16-8-9-17(15(4)24(16,21)5)29-19(25)10-11-32(6)28/h7,10-11,15-18,21H,8-9,12H2,1-6H3/b11-10+,13-7+ VIUDBOBKMBZVGZ-DTICODAZSA-N belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Terpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Acrylic acids and derivatives Butenolides Carbonyl compounds Enoate esters Eremophilanolides and secoeremophilanolides Fatty acid esters Hydrocarbon derivatives Lactones Naphthofurans Organic oxides Oxacyclic compounds Sesquiterpenoids Sulfinyl compounds Sulfoxides Tricarboxylic acids and derivatives 2-furanone Acrylic acid or derivatives Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dihydrofuran Enoate ester Eremophilanolide or secoeremophilanolide Fatty acid ester Fatty acyl Hydrocarbon derivative Lactone Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Organosulfur compound Oxacycle Sesquiterpenoid Sulfinyl compound Sulfoxide Terpene lactone Tricarboxylic acid or derivatives logp 3.09 ALOGPS logs -3.47 ALOGPS solubility 1.56e-01 g/l ALOGPS logp 3.16 ChemAxon pka_strongest_acidic 14.24 ChemAxon pka_strongest_basic -5.3 ChemAxon iupac 6-{[(2E)-3-methanesulfinylprop-2-enoyl]oxy}-3,4a,5-trimethyl-2-oxo-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-4-yl (2E)-2-methylbut-2-enoate ChemAxon average_mass 464.572 ChemAxon mono_mass 464.186874068 ChemAxon smiles C\C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(OC(=O)\C=C\S(C)=O)C(C)C12C ChemAxon formula C24H32O7S ChemAxon inchi InChI=1S/C24H32O7S/c1-7-13(2)22(26)31-21-20-14(3)23(27)30-18(20)12-16-8-9-17(15(4)24(16,21)5)29-19(25)10-11-32(6)28/h7,10-11,15-18,21H,8-9,12H2,1-6H3/b11-10+,13-7+ ChemAxon inchikey VIUDBOBKMBZVGZ-DTICODAZSA-N ChemAxon polar_surface_area 95.97 ChemAxon refractivity 122.18 ChemAxon polarizability 48.44 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 302176 Specdb::MsMs 302177 Specdb::MsMs 302178 Specdb::MsMs 344842 Specdb::MsMs 344843 Specdb::MsMs 344844 Specdb::MsMs 2764317 Specdb::MsMs 2764318 Specdb::MsMs 2764319 Specdb::MsMs 2941540 Specdb::MsMs 2941541 Specdb::MsMs 2941542 Specdb::CMs 16340 Specdb::CMs 174243 HMDB0041532 Green vegetables Unknown generic