1.0 2010-04-08 22:12:02 UTC 2025-11-19 00:58:37 UTC FDB015756 8alpha,13R-Epoxy-14-labden-19-oic acid Isolated from Pinus sylvestris (Scotch pine) 8a,13R-Epoxy-14-labden-19-oic acid 8alpha,13R-Epoxy-14-labden-19-oic acid C20H32O3 320.4663 320.23514489 3-ethenyl-3,4a,7,10a-tetramethyl-dodecahydro-1H-naphtho[2,1-b]pyran-7-carboxylic acid 3-ethenyl-3,4a,7,10a-tetramethyl-octahydro-1H-naphtho[2,1-b]pyran-7-carboxylic acid 56687-75-3 CC1(CCC2C(C)(CCC3C2(C)CCCC3(C)C(O)=O)O1)C=C InChI=1S/C20H32O3/c1-6-17(2)12-8-15-18(3)10-7-11-19(4,16(21)22)14(18)9-13-20(15,5)23-17/h6,14-15H,1,7-13H2,2-5H3,(H,21,22) POQLUTMXUBSNEN-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Naphthalenes Naphthopyrans Organic oxides Oxacyclic compounds Oxanes Pyrans Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Naphthalene Naphthopyran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polycyclic triterpenoid Pyran Triterpenoid logp 4.87 ALOGPS logs -5.88 ALOGPS solubility 4.22e-04 g/l ALOGPS melting_point Mp 83-85° (Me ester) logp 4.69 ChemAxon pka_strongest_acidic 4.7 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 3-ethenyl-3,4a,7,10a-tetramethyl-dodecahydro-1H-naphtho[2,1-b]pyran-7-carboxylic acid ChemAxon average_mass 320.4663 ChemAxon mono_mass 320.23514489 ChemAxon smiles CC1(CCC2C(C)(CCC3C2(C)CCCC3(C)C(O)=O)O1)C=C ChemAxon formula C20H32O3 ChemAxon inchi InChI=1S/C20H32O3/c1-6-17(2)12-8-15-18(3)10-7-11-19(4,16(21)22)14(18)9-13-20(15,5)23-17/h6,14-15H,1,7-13H2,2-5H3,(H,21,22) ChemAxon inchikey POQLUTMXUBSNEN-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 91.19 ChemAxon polarizability 37.12 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15741 Specdb::CMs 45048 Specdb::CMs 137998 Specdb::CMs 145732 Specdb::MsMs 51753 Specdb::MsMs 51754 Specdb::MsMs 51755 Specdb::MsMs 130431 Specdb::MsMs 130432 Specdb::MsMs 130433 Specdb::MsMs 2262820 Specdb::MsMs 2262821 Specdb::MsMs 2262822 Specdb::MsMs 3080154 Specdb::MsMs 3080155 Specdb::MsMs 3080156 HMDB36810 #<Reference:0x000055ce2ca41ff0>