1.0 2010-04-08 22:10:30 UTC 2019-11-26 03:07:56 UTC FDB013067 (25S)-26-Hydroxy-24-methylenecycloartan-3-one Constituent of Mangifera indica (mango). (25S)-26-Hydroxy-24-methylenecycloartan-3-one is found in fruits. 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid C31H50O2 454.7275 454.381080844 15-(7-hydroxy-6-methyl-5-methylideneheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one 15-(7-hydroxy-6-methyl-5-methylideneheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one 232266-06-7 CC(CCC(=C)C(C)CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C InChI=1S/C31H50O2/c1-20(22(3)18-32)8-9-21(2)23-12-14-29(7)25-11-10-24-27(4,5)26(33)13-15-30(24)19-31(25,30)17-16-28(23,29)6/h21-25,32H,1,8-19H2,2-7H3 OKILVWSNJYSCMZ-UHFFFAOYSA-N belongs to the class of organic compounds known as cycloartanols and derivatives. These are steroids containing a cycloartanol moiety. Cycloartanols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cycloartanols and derivatives Aliphatic homopolycyclic compounds 3-oxosteroids Cyclic ketones Fatty alcohols Hydrocarbon derivatives Hydroxysteroids Monohydroxy bile acids, alcohols and derivatives Organic oxides Primary alcohols Triterpenoids 26-hydroxysteroid 3-oxosteroid 9b,19-cyclo-lanostane-skeleton Alcohol Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives Carbonyl group Cyclic ketone Cycloartane-skeleton Cycloartanol-skeleton Fatty acyl Fatty alcohol Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Ketone Monohydroxy bile acid, alcohol, or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Primary alcohol Triterpenoid logp 5.89 ALOGPS logs -6.45 ALOGPS solubility 1.63e-04 g/l ALOGPS melting_point Mp 145-146° logp 7.1 ChemAxon pka_strongest_acidic 17.62 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac 15-(7-hydroxy-6-methyl-5-methylideneheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one ChemAxon average_mass 454.7275 ChemAxon mono_mass 454.381080844 ChemAxon smiles CC(CCC(=C)C(C)CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C ChemAxon formula C31H50O2 ChemAxon inchi InChI=1S/C31H50O2/c1-20(22(3)18-32)8-9-21(2)23-12-14-29(7)25-11-10-24-27(4,5)26(33)13-15-30(24)19-31(25,30)17-16-28(23,29)6/h21-25,32H,1,8-19H2,2-7H3 ChemAxon inchikey OKILVWSNJYSCMZ-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 136.54 ChemAxon polarizability 56.32 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13399 Specdb::CMs 43924 Specdb::CMs 163369 Specdb::MsMs 82155 Specdb::MsMs 82156 Specdb::MsMs 82157 Specdb::MsMs 143436 Specdb::MsMs 143437 Specdb::MsMs 143438 Specdb::MsMs 2357709 Specdb::MsMs 2357710 Specdb::MsMs 2357711 Specdb::MsMs 2604047 Specdb::MsMs 2604048 Specdb::MsMs 2604049 HMDB34555 #<Reference:0x000055ce317f8d98> Fruits Unknown generic