1.0 2010-04-08 22:07:07 UTC 2025-11-18 23:01:44 UTC FDB006376 Manoyl oxide Manoyl oxide, also known as (-)-ent-13-epi-manoyl oxide, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Manoyl oxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Manoyl oxide can be found in pot marjoram, which makes manoyl oxide a potential biomarker for the consumption of this food product. (+)-Manoyl oxide 8α,13-Epoxylabd-14-ene Labd-14-ene, 8,13-epoxy-, (13R)- Manooloxide Manoyl oxide C20H34O 290.4834 290.26096571 (3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-dodecahydro-1H-naphtho[2,1-b]pyran (3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-octahydro-1H-naphtho[2,1-b]pyran 98-80-6 CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@](C)(CC[C@@H]21)C=C InChI=1S/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,18+,19-,20+/m1/s1 IGGWKHQYMAJOHK-QVHQYWGISA-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 Dialkyl ethers Hydrocarbon derivatives Naphthalenes Naphthopyrans Oxacyclic compounds Oxanes Pyrans Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Naphthalene Naphthopyran Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polycyclic triterpenoid Pyran Triterpenoid logp 5.39 ALOGPS logs -6.31 ALOGPS solubility 1.42e-04 g/l ALOGPS logp 5.5 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-dodecahydro-1H-naphtho[2,1-b]pyran ChemAxon average_mass 290.4834 ChemAxon mono_mass 290.26096571 ChemAxon smiles CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@](C)(CC[C@@H]21)C=C ChemAxon formula C20H34O ChemAxon inchi InChI=1S/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,18+,19-,20+/m1/s1 ChemAxon inchikey IGGWKHQYMAJOHK-QVHQYWGISA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 89.47 ChemAxon polarizability 36.03 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 97881 Specdb::MsMs 97882 Specdb::MsMs 97883 Specdb::MsMs 162684 Specdb::MsMs 162685 Specdb::MsMs 162686 Specdb::MsMs 3602888 Specdb::MsMs 3602889 Specdb::MsMs 3602890 Specdb::MsMs 3602891 Specdb::MsMs 3602892 Specdb::MsMs 3602893 Pot marjoram Type 1 specific Origanum onites 452416 1.2 1.2 1.2 mg/100 g