1.0 2010-04-08 22:13:32 UTC 2019-11-26 03:15:47 UTC FDB018160 Osmanthuside B Isolated from leaves of Osmanthus fragrans (sweet osmanthus). Osmanthuside B is found in herbs and spices. Osmanthuside B C29H36O13 592.5883 592.215591238 5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 94492-23-6 CC1OC(OC2C(O)C(OCCC3=CC=C(O)C=C3)OC(CO)C2OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C29H36O13/c1-15-22(34)23(35)24(36)29(39-15)42-27-25(37)28(38-13-12-17-4-9-19(32)10-5-17)40-20(14-30)26(27)41-21(33)11-6-16-2-7-18(31)8-3-16/h2-11,15,20,22-32,34-37H,12-14H2,1H3/b11-6+ PRTREKIVGSNQRM-IZZDOVSWSA-N belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid. Coumaric acid esters Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Carbonyl compounds Cinnamic acid esters Coumaric acids and derivatives Disaccharides Enoate esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Styrenes Tyrosols and derivatives 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Coumaric acid ester Coumaric acid or derivatives Disaccharide Enoate ester Fatty acid ester Fatty acyl Glycosyl compound Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Secondary alcohol Styrene Tyrosol derivative logp 0.85 ALOGPS logs -2.96 ALOGPS solubility 6.49e-01 g/l ALOGPS melting_point Mp 80-85° (as hepta-Ac) logp 1.43 ChemAxon pka_strongest_acidic 9.33 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 592.5883 ChemAxon mono_mass 592.215591238 ChemAxon smiles CC1OC(OC2C(O)C(OCCC3=CC=C(O)C=C3)OC(CO)C2OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C29H36O13 ChemAxon inchi InChI=1S/C29H36O13/c1-15-22(34)23(35)24(36)29(39-15)42-27-25(37)28(38-13-12-17-4-9-19(32)10-5-17)40-20(14-30)26(27)41-21(33)11-6-16-2-7-18(31)8-3-16/h2-11,15,20,22-32,34-37H,12-14H2,1H3/b11-6+ ChemAxon inchikey PRTREKIVGSNQRM-IZZDOVSWSA-N ChemAxon polar_surface_area 204.83 ChemAxon refractivity 144.44 ChemAxon polarizability 60.11 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16140 Specdb::CMs 46030 Specdb::CMs 282914 Specdb::CMs 424404 Specdb::CMs 424405 Specdb::CMs 424406 Specdb::CMs 424407 Specdb::CMs 424408 Specdb::CMs 424409 Specdb::CMs 424410 Specdb::CMs 424411 Specdb::CMs 424412 Specdb::CMs 424413 Specdb::CMs 424414 Specdb::CMs 424415 Specdb::CMs 424416 Specdb::CMs 424417 Specdb::CMs 424418 Specdb::CMs 424419 Specdb::CMs 424420 Specdb::CMs 424421 Specdb::CMs 424422 Specdb::CMs 424423 Specdb::CMs 424424 Specdb::CMs 424425 Specdb::MsMs 97479 Specdb::MsMs 97480 Specdb::MsMs 97481 Specdb::MsMs 162210 Specdb::MsMs 162211 Specdb::MsMs 162212 Specdb::MsMs 2386781 Specdb::MsMs 2386782 Specdb::MsMs 2386783 Specdb::MsMs 2579190 Specdb::MsMs 2579191 Specdb::MsMs 2579192 HMDB38749 #<Reference:0x000055ce335d8778> Herbs and Spices Unknown generic