1.0 2010-04-08 22:13:35 UTC 2025-11-19 02:10:19 UTC FDB018223 (1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol Constituent of Laurus nobilis (bay laurel). (1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol is found in tea and herbs and spices. (1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol L-Tryptophan, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester L-Tryptophan,N-[N-(1-oxodecyl)-L-alanyl]-methyl ester C17H28O4 296.4018 296.198759384 2-hydroxy-2-[(1R,2E,4R)-4-hydroxy-4,8-dimethylcyclodeca-2,7-dien-1-yl]propyl acetate 2-hydroxy-2-[(1R,2E,4R)-4-hydroxy-4,8-dimethylcyclodeca-2,7-dien-1-yl]propyl acetate 143305-08-2 CC(=O)OCC(C)(O)[C@@H]1CCC(C)=CCC[C@@](C)(O)\C=C\1 InChI=1S/C17H28O4/c1-13-6-5-10-16(3,19)11-9-15(8-7-13)17(4,20)12-21-14(2)18/h6,9,11,15,19-20H,5,7-8,10,12H2,1-4H3/b11-9+,13-6-/t15-,16-,17?/m1/s1 RTFVWCRRSNVOBR-AEUJFMECSA-N belongs to the class of organic compounds known as germacrane sesquiterpenoids. These are sesquiterpenoids having the germacrane skeleton, with a structure characterized by a cyclodecane ring substituted with an isopropyl and two methyl groups. Germacrane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Tertiary alcohols Alcohol Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Germacrane sesquiterpenoid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Tertiary alcohol logp 2.40 ALOGPS logs -3.16 ALOGPS solubility 2.06e-01 g/l ALOGPS logp 2.03 ChemAxon pka_strongest_acidic 13.94 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac 2-hydroxy-2-[(1R,2E,4R)-4-hydroxy-4,8-dimethylcyclodeca-2,7-dien-1-yl]propyl acetate ChemAxon average_mass 296.4018 ChemAxon mono_mass 296.198759384 ChemAxon smiles CC(=O)OCC(C)(O)[C@@H]1CCC(C)=CCC[C@@](C)(O)\C=C\1 ChemAxon formula C17H28O4 ChemAxon inchi InChI=1S/C17H28O4/c1-13-6-5-10-16(3,19)11-9-15(8-7-13)17(4,20)12-21-14(2)18/h6,9,11,15,19-20H,5,7-8,10,12H2,1-4H3/b11-9+,13-6-/t15-,16-,17?/m1/s1 ChemAxon inchikey RTFVWCRRSNVOBR-AEUJFMECSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 84.83 ChemAxon polarizability 33.42 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12116 Specdb::CMs 46064 Specdb::CMs 149334 Specdb::MsMs 46350 Specdb::MsMs 46351 Specdb::MsMs 46352 Specdb::MsMs 159423 Specdb::MsMs 159424 Specdb::MsMs 159425 Specdb::MsMs 2363738 Specdb::MsMs 2363739 Specdb::MsMs 2363740 Specdb::MsMs 2601779 Specdb::MsMs 2601780 Specdb::MsMs 2601781 HMDB38798 #<Reference:0x000055ce324c2ad8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442