1.0 2010-04-08 22:09:33 UTC 2019-11-26 03:04:46 UTC FDB011285 Solanolone Constituent of potato tubers infected with Phoma exigua variety foveata. Solanolone is found in potato. C15H18O5 278.3004 278.115423686 3,4,7,10-tetrahydroxy-6-methyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-9-one 3,4,7,10-tetrahydroxy-6-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one 105933-57-1 CC1=C(O)C=C2C(=O)C(O)C3CCC(O)C(O)C3C2=C1 InChI=1S/C15H18O5/c1-6-4-8-9(5-11(6)17)14(19)13(18)7-2-3-10(16)15(20)12(7)8/h4-5,7,10,12-13,15-18,20H,2-3H2,1H3 MBBMNXMKZBEZIP-UHFFFAOYSA-N belongs to the class of organic compounds known as hydrophenanthrenes. These are a phenanthrene derivative where at least one ring CC bond is substituted by hydrogenation. Hydrophenanthrenes Organic compounds Benzenoids Phenanthrenes and derivatives Hydrophenanthrenes Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Aryl alkyl ketones Cyclic alcohols and derivatives Hydrocarbon derivatives Organic oxides Polyols Secondary alcohols Tetralins 1-hydroxy-2-unsubstituted benzenoid Alcohol Aromatic homopolycyclic compound Aryl alkyl ketone Aryl ketone Cyclic alcohol Hydrocarbon derivative Hydrophenanthrene Ketone Organic oxide Organic oxygen compound Organooxygen compound Polyol Secondary alcohol Tetralin logp 0.13 ALOGPS logs -1.39 ALOGPS solubility 1.14e+01 g/l ALOGPS logp 0.31 ChemAxon pka_strongest_acidic 9.2 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 3,4,7,10-tetrahydroxy-6-methyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-9-one ChemAxon average_mass 278.3004 ChemAxon mono_mass 278.115423686 ChemAxon smiles CC1=C(O)C=C2C(=O)C(O)C3CCC(O)C(O)C3C2=C1 ChemAxon formula C15H18O5 ChemAxon inchi InChI=1S/C15H18O5/c1-6-4-8-9(5-11(6)17)14(19)13(18)7-2-3-10(16)15(20)12(7)8/h4-5,7,10,12-13,15-18,20H,2-3H2,1H3 ChemAxon inchikey MBBMNXMKZBEZIP-UHFFFAOYSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 72.22 ChemAxon polarizability 28.84 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22826 Specdb::CMs 43180 Specdb::CMs 136982 Specdb::CMs 144716 Specdb::NmrOneD 119118 Specdb::NmrOneD 119119 Specdb::NmrOneD 119120 Specdb::NmrOneD 119121 Specdb::NmrOneD 119122 Specdb::NmrOneD 119123 Specdb::NmrOneD 119124 Specdb::NmrOneD 119125 Specdb::NmrOneD 119126 Specdb::NmrOneD 119127 Specdb::NmrOneD 119128 Specdb::NmrOneD 119129 Specdb::NmrOneD 119130 Specdb::NmrOneD 119131 Specdb::NmrOneD 119132 Specdb::NmrOneD 119133 Specdb::NmrOneD 119134 Specdb::NmrOneD 119135 Specdb::NmrOneD 119136 Specdb::NmrOneD 119137 Specdb::MsMs 45183 Specdb::MsMs 45184 Specdb::MsMs 45185 Specdb::MsMs 127716 Specdb::MsMs 127717 Specdb::MsMs 127718 Specdb::MsMs 2394427 Specdb::MsMs 2394428 Specdb::MsMs 2394429 Specdb::MsMs 2571647 Specdb::MsMs 2571648 Specdb::MsMs 2571649 HMDB33262 #<Reference:0x000055ce3344dd90> Potato Type 1 specific Solanum tuberosum 4113 0.22 0.22 0.22 mg/100 g