1.0 2010-04-08 22:14:02 UTC 2019-11-26 03:16:55 UTC FDB018944 Chrysaloin Isolated from Rumex vesicarius (bladder dock). Chrysaloin is found in herbs and spices. 11-Deoxyaloin Chrysaloin C21H22O8 402.3946 402.13146768 1,8-dihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one 1,8-dihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one 18262-45-8 CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1OC(CO)C(O)C(O)C1O InChI=1S/C21H22O8/c1-8-5-10-14(21-20(28)19(27)17(25)13(7-22)29-21)9-3-2-4-11(23)15(9)18(26)16(10)12(24)6-8/h2-6,13-14,17,19-25,27-28H,7H2,1H3 RZCVGOHQLRNJKQ-UHFFFAOYSA-N belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings. Anthracenes Organic compounds Benzenoids Anthracenes Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl ketones C-glycosyl compounds Dialkyl ethers Hexoses Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Anthracene Aromatic heteropolycyclic compound Aryl ketone C-glycosyl compound Dialkyl ether Ether Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Vinylogous acid logp 0.02 ALOGPS logs -2.29 ALOGPS solubility 2.09e+00 g/l ALOGPS melting_point Mp 224-225° dec. logp 1.7 ChemAxon pka_strongest_acidic 9.64 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,8-dihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one ChemAxon average_mass 402.3946 ChemAxon mono_mass 402.13146768 ChemAxon smiles CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1OC(CO)C(O)C(O)C1O ChemAxon formula C21H22O8 ChemAxon inchi InChI=1S/C21H22O8/c1-8-5-10-14(21-20(28)19(27)17(25)13(7-22)29-21)9-3-2-4-11(23)15(9)18(26)16(10)12(24)6-8/h2-6,13-14,17,19-25,27-28H,7H2,1H3 ChemAxon inchikey RZCVGOHQLRNJKQ-UHFFFAOYSA-N ChemAxon polar_surface_area 147.68 ChemAxon refractivity 102.02 ChemAxon polarizability 39.9 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 52794 Specdb::MsMs 52795 Specdb::MsMs 52796 Specdb::MsMs 165090 Specdb::MsMs 165091 Specdb::MsMs 165092 Specdb::MsMs 2272575 Specdb::MsMs 2272576 Specdb::MsMs 2272577 Specdb::MsMs 3070248 Specdb::MsMs 3070249 Specdb::MsMs 3070250 Specdb::CMs 13323 Specdb::CMs 46386 Specdb::CMs 151117 Specdb::CMs 152937 Specdb::CMs 152939 Specdb::CMs 152941 Specdb::CMs 152943 Specdb::CMs 152945 Specdb::CMs 152947 Specdb::CMs 152948 Specdb::CMs 152950 Specdb::CMs 152952 Specdb::CMs 152954 Specdb::CMs 152956 Specdb::CMs 152958 Specdb::CMs 152960 Specdb::CMs 152962 Specdb::CMs 152964 Specdb::CMs 152966 Specdb::CMs 152968 Specdb::CMs 152970 Specdb::CMs 152972 Specdb::CMs 152975 Specdb::CMs 152977 Specdb::CMs 152979 HMDB39379 #<Reference:0x000055ce3198f440> Herbs and Spices Unknown generic