1.0 2010-04-08 22:13:45 UTC 2019-11-26 03:16:15 UTC FDB018506 15beta,19-ent-Dihydroxy-7-trachylobanone Constituent of Helianthus annuus (sunflower). 15beta,19-ent-Dihydroxy-7-trachylobanone is found in fats and oils. 15beta,19-ent-Dihydroxy-7-trachylobanone 2,6-Dimenapqi 2,6-Dimethyl-N-acetyl-P-benzoquinoneimine 2,6-Dimethyl-napqi Acetyl-2,6-dimethyl-4-benzoquinone imine Acetyl-2,6-dimethyl-P-benzoquinoneimine Na-2,6-bqi C20H30O3 318.4504 318.219494826 16-hydroxy-5-(hydroxymethyl)-5,9,13-trimethylpentacyclo[11.2.1.0¹,¹⁰.0⁴,⁹.0¹²,¹⁴]hexadecan-2-one 16-hydroxy-5-(hydroxymethyl)-5,9,13-trimethylpentacyclo[11.2.1.0¹,¹⁰.0⁴,⁹.0¹²,¹⁴]hexadecan-2-one 137648-01-2 CC12C3CC4(C1O)C(CC23)C1(C)CCCC(C)(CO)C1CC4=O InChI=1S/C20H30O3/c1-17(10-21)5-4-6-18(2)13(17)8-15(22)20-9-12-11(7-14(18)20)19(12,3)16(20)23/h11-14,16,21,23H,4-10H2,1-3H3 SSTASBUCOHAYRJ-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 Alkaloids and derivatives Atisane diterpenoids Cyclic alcohols and derivatives Hydrocarbon derivatives Ketones Organic oxides Primary alcohols Secondary alcohols Alcohol Aliphatic homopolycyclic compound Alkaloid or derivatives Atisane diterpenoid Carbonyl group Cyclic alcohol Hydrocarbon derivative Kaurane diterpenoid Ketone Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Villanovane, atisane, trachylobane or helvifulvane diterpenoid logp 2.13 ALOGPS logs -3.66 ALOGPS solubility 6.99e-02 g/l ALOGPS logp 2.18 ChemAxon pka_strongest_acidic 14.12 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac 16-hydroxy-5-(hydroxymethyl)-5,9,13-trimethylpentacyclo[11.2.1.0¹,¹⁰.0⁴,⁹.0¹²,¹⁴]hexadecan-2-one ChemAxon average_mass 318.4504 ChemAxon mono_mass 318.219494826 ChemAxon smiles CC12C3CC4(C1O)C(CC23)C1(C)CCCC(C)(CO)C1CC4=O ChemAxon formula C20H30O3 ChemAxon inchi InChI=1S/C20H30O3/c1-17(10-21)5-4-6-18(2)13(17)8-15(22)20-9-12-11(7-14(18)20)19(12,3)16(20)23/h11-14,16,21,23H,4-10H2,1-3H3 ChemAxon inchikey SSTASBUCOHAYRJ-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 87.72 ChemAxon polarizability 36.25 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15837 Specdb::CMs 46202 Specdb::CMs 166561 Specdb::MsMs 52941 Specdb::MsMs 52942 Specdb::MsMs 52943 Specdb::MsMs 126378 Specdb::MsMs 126379 Specdb::MsMs 126380 Specdb::MsMs 2424739 Specdb::MsMs 2424740 Specdb::MsMs 2424741 Specdb::MsMs 2510104 Specdb::MsMs 2510105 Specdb::MsMs 2510106 HMDB39012 #<Reference:0x000055ce33595388> Fats and oils Unknown generic