1.0 2010-04-08 22:11:15 UTC 2019-11-26 03:10:01 UTC FDB014424 Xanthoperol Constituent of Juniperus communis (juniper). Xanthoperol is found in fruits. Xanthoperol C20H26O3 314.4186 314.188194698 6-hydroxy-1,1,4a-trimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-9,10-dione 6-hydroxy-7-isopropyl-1,1,4a-trimethyl-2,3,4,10a-tetrahydrophenanthrene-9,10-dione 119817-27-5 CC(C)C1=CC2=C(C=C1O)C1(C)CCCC(C)(C)C1C(=O)C2=O InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,18,21H,6-8H2,1-5H3 KVTOPOITUALWOF-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Aryl ketones Hydrocarbon derivatives Hydrophenanthrenes Naphthoquinones Organic oxides Quinones Tetralins 1-hydroxy-2-unsubstituted benzenoid Abietane diterpenoid Aromatic homopolycyclic compound Aryl ketone Benzenoid Carbonyl group Diterpenoid Hydrocarbon derivative Hydrophenanthrene Ketone Naphthalene Naphthoquinone Organic oxide Organic oxygen compound Organooxygen compound Phenanthrene Quinone Tetralin logp 4.94 ALOGPS logs -4.65 ALOGPS solubility 7.11e-03 g/l ALOGPS melting_point Mp 255-270° dec. logp 5.21 ChemAxon pka_strongest_acidic 7.97 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 6-hydroxy-1,1,4a-trimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-9,10-dione ChemAxon average_mass 314.4186 ChemAxon mono_mass 314.188194698 ChemAxon smiles CC(C)C1=CC2=C(C=C1O)C1(C)CCCC(C)(C)C1C(=O)C2=O ChemAxon formula C20H26O3 ChemAxon inchi InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,18,21H,6-8H2,1-5H3 ChemAxon inchikey KVTOPOITUALWOF-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 91.27 ChemAxon polarizability 35.92 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9346 Specdb::CMs 44014 Specdb::CMs 154105 Specdb::MsMs 8771 Specdb::MsMs 8772 Specdb::MsMs 8773 Specdb::MsMs 15443 Specdb::MsMs 15444 Specdb::MsMs 15445 Specdb::MsMs 2298861 Specdb::MsMs 2298862 Specdb::MsMs 2298863 Specdb::MsMs 2639212 Specdb::MsMs 2639213 Specdb::MsMs 2639214 HMDB34712 #<Reference:0x000055ce317f44f0> Fruits Unknown generic