1.0 2010-04-08 22:04:32 UTC 2025-11-18 22:17:25 UTC FDB000372 Canescein Isolated from Convallaria majalis. Convallaria majalis is banned by the FDA from food use in the USA. Canescein C29H42O11 566.6372 566.272712186 7,11,17-trihydroxy-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde 7,11,17-trihydroxy-15-methyl-14-(5-oxo-2H-furan-3-yl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde 22333-73-9 CC1OC(OC2CCC3(C=O)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3 AZOXLPPOBHVORY-UHFFFAOYSA-N belongs to the class of organic compounds known as cardenolide glycosides and derivatives. Cardenolide glycosides and derivatives are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety. Cardenolide glycosides and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Aliphatic heteropolycyclic compounds 11-hydroxysteroids 14-hydroxysteroids 19-oxosteroids Acetals Aldehydes Butenolides Cyclic alcohols and derivatives Enoate esters Hexoses Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Steroidal glycosides Tertiary alcohols 11-hydroxysteroid 14-hydroxysteroid 19-oxosteroid 2-furanone 5-hydroxysteroid Acetal Alcohol Aldehyde Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cardanolide-glycoside Cyclic alcohol Dihydrofuran Enoate ester Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxysteroid Lactone Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Polyol Secondary alcohol Steroidal glycoside Tertiary alcohol logp -0.71 ALOGPS logs -2.56 ALOGPS solubility 1.55e+00 g/l ALOGPS melting_point Mp 192-194° logp -1.2 ChemAxon pka_strongest_acidic 7.18 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 7,11,17-trihydroxy-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde ChemAxon average_mass 566.6372 ChemAxon mono_mass 566.272712186 ChemAxon smiles CC1OC(OC2CCC3(C=O)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O ChemAxon formula C29H42O11 ChemAxon inchi InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3 ChemAxon inchikey AZOXLPPOBHVORY-UHFFFAOYSA-N ChemAxon polar_surface_area 183.21 ChemAxon refractivity 138.38 ChemAxon polarizability 59.61 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19326 Specdb::CMs 41269 Specdb::CMs 282147 Specdb::CMs 362481 Specdb::CMs 362482 Specdb::CMs 362483 Specdb::CMs 362484 Specdb::CMs 362485 Specdb::CMs 362486 Specdb::CMs 362487 Specdb::CMs 362488 Specdb::CMs 362489 Specdb::CMs 362490 Specdb::CMs 362491 Specdb::CMs 362492 Specdb::CMs 362493 Specdb::CMs 362494 Specdb::CMs 362495 Specdb::CMs 362496 Specdb::CMs 362497 Specdb::CMs 362498 Specdb::CMs 362499 Specdb::CMs 362500 Specdb::CMs 362501 Specdb::CMs 362502 Specdb::NmrOneD 157590 Specdb::NmrOneD 157591 Specdb::NmrOneD 157592 Specdb::NmrOneD 157593 Specdb::NmrOneD 157594 Specdb::NmrOneD 157595 Specdb::NmrOneD 157596 Specdb::NmrOneD 157597 Specdb::NmrOneD 157598 Specdb::NmrOneD 157599 Specdb::NmrOneD 157600 Specdb::NmrOneD 157601 Specdb::NmrOneD 157602 Specdb::NmrOneD 157603 Specdb::NmrOneD 157604 Specdb::NmrOneD 157605 Specdb::NmrOneD 157606 Specdb::NmrOneD 157607 Specdb::NmrOneD 157608 Specdb::NmrOneD 157609 Specdb::MsMs 9149 Specdb::MsMs 9150 Specdb::MsMs 9151 Specdb::MsMs 10859 Specdb::MsMs 10860 Specdb::MsMs 10861 Specdb::MsMs 11282 Specdb::MsMs 11283 Specdb::MsMs 11284 Specdb::MsMs 15821 Specdb::MsMs 15822 Specdb::MsMs 15823 Specdb::MsMs 17531 Specdb::MsMs 17532 Specdb::MsMs 17533 Specdb::MsMs 17954 Specdb::MsMs 17955 Specdb::MsMs 17956 Specdb::MsMs 2346722 Specdb::MsMs 2346723 Specdb::MsMs 2346724 Specdb::MsMs 2591533 Specdb::MsMs 2591534 Specdb::MsMs 2591535 HMDB29313 #<Reference:0x000055ce331219f0>