1.0 2010-04-08 22:11:58 UTC 2019-11-26 03:11:58 UTC FDB015641 Ucriol Isolated from Sideritis syriaca (Greek mountain tea). Ucriol is found in tea. ent-15b,16b-Epoxy-7b,18-kauranediol Ucriol C20H32O3 320.4663 320.23514489 5-(hydroxymethyl)-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.0¹,¹⁰.0⁴,⁹.0¹⁴,¹⁶]heptadecan-2-ol 5-(hydroxymethyl)-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.0¹,¹⁰.0⁴,⁹.0¹⁴,¹⁶]heptadecan-2-ol 87376-64-5 CC12OC1C13CC2CCC1C1(C)CCCC(C)(CO)C1CC3O InChI=1S/C20H32O3/c1-17(11-21)7-4-8-18(2)13-6-5-12-10-20(13,15(22)9-14(17)18)16-19(12,3)23-16/h12-16,21-22H,4-11H2,1-3H3 BDWKHKXSYDEDRO-UHFFFAOYSA-N belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. Kaurane diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic heteropolycyclic compounds Cyclic alcohols and derivatives Dialkyl ethers Epoxides Hydrocarbon derivatives Oxacyclic compounds Oxanes Primary alcohols Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Ether Hydrocarbon derivative Kaurane diterpenoid Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxirane Primary alcohol Secondary alcohol logp 2.52 ALOGPS logs -3.96 ALOGPS solubility 3.49e-02 g/l ALOGPS melting_point Mp 185-186° logp 2.38 ChemAxon pka_strongest_acidic 14.6 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac 5-(hydroxymethyl)-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.0¹,¹⁰.0⁴,⁹.0¹⁴,¹⁶]heptadecan-2-ol ChemAxon average_mass 320.4663 ChemAxon mono_mass 320.23514489 ChemAxon smiles CC12OC1C13CC2CCC1C1(C)CCCC(C)(CO)C1CC3O ChemAxon formula C20H32O3 ChemAxon inchi InChI=1S/C20H32O3/c1-17(11-21)7-4-8-18(2)13-6-5-12-10-20(13,15(22)9-14(17)18)16-19(12,3)23-16/h12-16,21-22H,4-11H2,1-3H3 ChemAxon inchikey BDWKHKXSYDEDRO-UHFFFAOYSA-N ChemAxon polar_surface_area 52.99 ChemAxon refractivity 88.54 ChemAxon polarizability 36.71 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25796 Specdb::CMs 44988 Specdb::CMs 148180 Specdb::MsMs 9314 Specdb::MsMs 9315 Specdb::MsMs 9316 Specdb::MsMs 15986 Specdb::MsMs 15987 Specdb::MsMs 15988 Specdb::MsMs 2314562 Specdb::MsMs 2314563 Specdb::MsMs 2314564 Specdb::MsMs 2621585 Specdb::MsMs 2621586 Specdb::MsMs 2621587 HMDB36705 #<Reference:0x000055ce2ec34b58> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442