1.0 2010-04-08 22:09:31 UTC 2019-11-26 03:04:40 UTC FDB011192 Camelliol A Constituent of Sasanqua oil (Camellia sasanqua). Camelliol A is found in tea and fats and oils. Camelliol A C30H50O 426.7174 426.386166222 5-[(3E)-6-(2,4a,7,7-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-3-methylhex-3-en-1-yl]-4,6,6-trimethylcyclohex-3-en-1-ol 5-[(3E)-6-(2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl)-3-methylhex-3-en-1-yl]-4,6,6-trimethylcyclohex-3-en-1-ol 220359-69-3 C\C(CCC1C(C)=CCC(O)C1(C)C)=C/CCC1=C(C)CCC2(C)CCC(C)(C)CC12 InChI=1S/C30H50O/c1-21(12-14-25-23(3)13-15-27(31)29(25,6)7)10-9-11-24-22(2)16-17-30(8)19-18-28(4,5)20-26(24)30/h10,13,25-27,31H,9,11-12,14-20H2,1-8H3/b21-10+ HRQSDUTTZIHWJQ-UFFVCSGVSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclofarsesane sesquiterpenoid Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Sesquiterpenoid logp 8.39 ALOGPS logs -5.75 ALOGPS solubility 7.59e-04 g/l ALOGPS logp 8.07 ChemAxon pka_strongest_acidic 19.4 ChemAxon pka_strongest_basic -0.87 ChemAxon iupac 5-[(3E)-6-(2,4a,7,7-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-3-methylhex-3-en-1-yl]-4,6,6-trimethylcyclohex-3-en-1-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles C\C(CCC1C(C)=CCC(O)C1(C)C)=C/CCC1=C(C)CCC2(C)CCC(C)(C)CC12 ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/c1-21(12-14-25-23(3)13-15-27(31)29(25,6)7)10-9-11-24-22(2)16-17-30(8)19-18-28(4,5)20-26(24)30/h10,13,25-27,31H,9,11-12,14-20H2,1-8H3/b21-10+ ChemAxon inchikey HRQSDUTTZIHWJQ-UFFVCSGVSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 137.38 ChemAxon polarizability 54.78 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 106623 Specdb::MsMs 106624 Specdb::MsMs 106625 Specdb::MsMs 173424 Specdb::MsMs 173425 Specdb::MsMs 173426 Specdb::MsMs 2735720 Specdb::MsMs 2735721 Specdb::MsMs 2735722 Specdb::MsMs 2973321 Specdb::MsMs 2973322 Specdb::MsMs 2973323 Specdb::CMs 21268 Specdb::CMs 43129 Specdb::CMs 130495 Specdb::CMs 138229 HMDB33181 #<Reference:0x000055ce300dadc8> Black tea Type 1 Fats and oils Unknown generic Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442