1.0 2010-04-08 22:15:46 UTC 2025-11-19 02:38:25 UTC FDB021534 3b,8a-Dihydroxy-6b-methoxy-7(11)-eremophilen-12,8-olide Constituent of Petasites japonicus (sweet coltsfoot). 3b,8a-Dihydroxy-6b-methoxy-7(11)-eremophilen-12,8-olide is found in green vegetables. 3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide 3b,8a-Dihydroxy-6b-methoxy-7(11)-eremophilen-12,8-olide C16H24O5 296.3588 296.162373878 6,9a-dihydroxy-4-methoxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one 6,9a-dihydroxy-4-methoxy-3,4a,5-trimethyl-4H,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-2-one COC1C2=C(C)C(=O)OC2(O)CC2CCC(O)C(C)C12C InChI=1S/C16H24O5/c1-8-12-13(20-4)15(3)9(2)11(17)6-5-10(15)7-16(12,19)21-14(8)18/h9-11,13,17,19H,5-7H2,1-4H3 PVRCOBIICILOMH-UHFFFAOYSA-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 Butenolides Carbonyl compounds Cyclic alcohols and derivatives Dialkyl ethers Enoate esters Eremophilanolides and secoeremophilanolides Hemiacetals Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Naphthofurans Organic oxides Oxacyclic compounds Secondary alcohols Sesquiterpenoids 2-furanone Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dialkyl ether Dihydrofuran Enoate ester Eremophilanolide or secoeremophilanolide Ether Hemiacetal Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Sesquiterpenoid Terpene lactone logp 1.02 ALOGPS logs -2.11 ALOGPS solubility 2.30e+00 g/l ALOGPS logp 1.52 ChemAxon pka_strongest_acidic 11.19 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 6,9a-dihydroxy-4-methoxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one ChemAxon average_mass 296.3588 ChemAxon mono_mass 296.162373878 ChemAxon smiles COC1C2=C(C)C(=O)OC2(O)CC2CCC(O)C(C)C12C ChemAxon formula C16H24O5 ChemAxon inchi InChI=1S/C16H24O5/c1-8-12-13(20-4)15(3)9(2)11(17)6-5-10(15)7-16(12,19)21-14(8)18/h9-11,13,17,19H,5-7H2,1-4H3 ChemAxon inchikey PVRCOBIICILOMH-UHFFFAOYSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 76.43 ChemAxon polarizability 31.38 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10294 Specdb::CMs 47382 Specdb::CMs 162388 Specdb::MsMs 288703 Specdb::MsMs 288704 Specdb::MsMs 288705 Specdb::MsMs 327904 Specdb::MsMs 327905 Specdb::MsMs 327906 Specdb::MsMs 2265120 Specdb::MsMs 2265121 Specdb::MsMs 2265122 Specdb::MsMs 3074418 Specdb::MsMs 3074419 Specdb::MsMs 3074420 HMDB41551 #<Reference:0x000055ce317c6f78> Green vegetables Unknown generic