1.0 2010-04-08 22:15:36 UTC 2019-11-26 03:20:10 UTC FDB021293 24-Acetyl- 25-cinnamoylvulgaroside Constituent of Cydonia vulgaris (quince). 24-Acetyl- 25-cinnamoylvulgaroside is found in fruits. C36H48O8 608.7615 608.334918512 3-(2-{2-[(acetyloxy)methyl]-2-hydroxy-4b,8,8,10a-tetramethyl-tetradecahydrophenanthren-1-yl}-1-hydroxyethyl)-5-oxo-2,5-dihydrofuran-2-yl (2E)-3-phenylprop-2-enoate 3-(2-{2-[(acetyloxy)methyl]-2-hydroxy-4b,8,8,10a-tetramethyl-decahydrophenanthren-1-yl}-1-hydroxyethyl)-5-oxo-2H-furan-2-yl (2E)-3-phenylprop-2-enoate 172616-89-6 CC(=O)OCC1(O)CCC2C(C)(CCC3C(C)(C)CCCC23C)C1CC(O)C1=CC(=O)OC1OC(=O)\C=C\C1=CC=CC=C1 InChI=1S/C36H48O8/c1-23(37)42-22-36(41)19-15-28-34(4)17-9-16-33(2,3)27(34)14-18-35(28,5)29(36)21-26(38)25-20-31(40)44-32(25)43-30(39)13-12-24-10-7-6-8-11-24/h6-8,10-13,20,26-29,32,38,41H,9,14-19,21-22H2,1-5H3/b13-12+ IMXZIJOCFAKDPZ-OUKQBFOZSA-N belongs to the class of organic compounds known as cheilanthane sesterterpenoids. These are sesterterpnoids with a structure based on the cheilanthane backbone. Cheilanthane is a tricyclic compound consisting of a tetradecahydrophenanthrene ring system that carries two methyl groups at the 1-position, one methyl group at the 4a-,7-, and 8a-positions, as well as a 3-methylpentyl group at the 8-position. Cheilanthane sesterterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesterterpenoids Aromatic heteropolycyclic compounds 16-hydroxysteroids Acetals Acylals Butenolides Carbonyl compounds Cinnamic acid esters Cyclic alcohols and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Hydrophenanthrenes Lactones Organic oxides Oxacyclic compounds Secondary alcohols Styrenes Tertiary alcohols Tricarboxylic acids and derivatives 13-hydroxysteroid 16-hydroxysteroid 2-furanone Acetal Acylal Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cheilanthane sesterterpenoid Cinnamic acid ester Cinnamic acid or derivatives Cyclic alcohol Dihydrofuran Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Hydrophenanthrene Hydroxysteroid Lactone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenanthrene Secondary alcohol Steroid Styrene Tertiary alcohol Tricarboxylic acid or derivatives logp 4.93 ALOGPS logs -6.11 ALOGPS solubility 4.77e-04 g/l ALOGPS logp 6.26 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 3-(2-{2-[(acetyloxy)methyl]-2-hydroxy-4b,8,8,10a-tetramethyl-tetradecahydrophenanthren-1-yl}-1-hydroxyethyl)-5-oxo-2,5-dihydrofuran-2-yl (2E)-3-phenylprop-2-enoate ChemAxon average_mass 608.7615 ChemAxon mono_mass 608.334918512 ChemAxon smiles CC(=O)OCC1(O)CCC2C(C)(CCC3C(C)(C)CCCC23C)C1CC(O)C1=CC(=O)OC1OC(=O)\C=C\C1=CC=CC=C1 ChemAxon formula C36H48O8 ChemAxon inchi InChI=1S/C36H48O8/c1-23(37)42-22-36(41)19-15-28-34(4)17-9-16-33(2,3)27(34)14-18-35(28,5)29(36)21-26(38)25-20-31(40)44-32(25)43-30(39)13-12-24-10-7-6-8-11-24/h6-8,10-13,20,26-29,32,38,41H,9,14-19,21-22H2,1-5H3/b13-12+ ChemAxon inchikey IMXZIJOCFAKDPZ-OUKQBFOZSA-N ChemAxon polar_surface_area 119.36 ChemAxon refractivity 165.89 ChemAxon polarizability 67.16 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22996 Specdb::CMs 47278 Specdb::CMs 495278 Specdb::CMs 495279 Specdb::CMs 495280 Specdb::CMs 495281 Specdb::CMs 495282 Specdb::CMs 792304 Specdb::MsMs 317080 Specdb::MsMs 317081 Specdb::MsMs 317082 Specdb::MsMs 363481 Specdb::MsMs 363482 Specdb::MsMs 363483 Specdb::MsMs 2770265 Specdb::MsMs 2770266 Specdb::MsMs 2770267 Specdb::MsMs 2908515 Specdb::MsMs 2908516 Specdb::MsMs 2908517 HMDB41368 #<Reference:0x000055ce3199d720> Fruits Unknown generic