1.0 2010-04-08 22:11:58 UTC 2018-05-29 01:20:38 UTC FDB015638 Sideridiol Constituent of Sideritis subspecies Sideridiol C20H32O2 304.4669 304.240230268 5-(hydroxymethyl)-5,9,14-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-2-ol 5-(hydroxymethyl)-5,9,14-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-2-ol 19891-25-9 CC1=CC23CC1CCC2C1(C)CCCC(C)(CO)C1CC3O InChI=1S/C20H32O2/c1-13-10-20-11-14(13)5-6-15(20)19(3)8-4-7-18(2,12-21)16(19)9-17(20)22/h10,14-17,21-22H,4-9,11-12H2,1-3H3 BATFJLLEMUIAJD-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 homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Primary alcohols Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Kaurane diterpenoid Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol logp 3.24 ALOGPS logs -3.85 ALOGPS solubility 4.26e-02 g/l ALOGPS melting_point Mp 196-197° logp 3.05 ChemAxon pka_strongest_acidic 18.59 ChemAxon pka_strongest_basic -0.39 ChemAxon iupac 5-(hydroxymethyl)-5,9,14-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-2-ol ChemAxon average_mass 304.4669 ChemAxon mono_mass 304.240230268 ChemAxon smiles CC1=CC23CC1CCC2C1(C)CCCC(C)(CO)C1CC3O ChemAxon formula C20H32O2 ChemAxon inchi InChI=1S/C20H32O2/c1-13-10-20-11-14(13)5-6-15(20)19(3)8-4-7-18(2,12-21)16(19)9-17(20)22/h10,14-17,21-22H,4-9,11-12H2,1-3H3 ChemAxon inchikey BATFJLLEMUIAJD-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 90.01 ChemAxon polarizability 36.27 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11837 Specdb::CMs 44985 Specdb::CMs 137464 Specdb::CMs 145198 Specdb::MsMs 105786 Specdb::MsMs 105787 Specdb::MsMs 105788 Specdb::MsMs 172356 Specdb::MsMs 172357 Specdb::MsMs 172358 Specdb::MsMs 2334808 Specdb::MsMs 2334809 Specdb::MsMs 2334810 Specdb::MsMs 2628365 Specdb::MsMs 2628366 Specdb::MsMs 2628367 HMDB36702 #<Reference:0x000055ce31e05ec0>