1.0 2010-04-08 22:05:19 UTC 2025-11-18 22:36:14 UTC FDB002287 28-Homobrassinolide Constituent of chinese cabbage (Brassica rapa sspecies pekinensis). 28-Homobrassinolide is found in brassicas. C29H50O6 494.7037 494.360739332 15-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadecan-8-one 15-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadecan-8-one 80483-89-2 CCC(C(C)C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3 HJIKODJJEORHMZ-UHFFFAOYSA-N belongs to the class of organic compounds known as brassinolides and derivatives. These are cholestane based steroid lactones containing benzo[c]indeno[5,4-e]oxepin-3-one. Brassinolides and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxepanes Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Brassinolide-skeleton Caprolactone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Secondary alcohol a brassinosteroids logp 3.06 ALOGPS logs -4.36 ALOGPS solubility 2.17e-02 g/l ALOGPS melting_point Mp 269-270° logp 3.57 ChemAxon pka_strongest_acidic 13.45 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 15-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadecan-8-one ChemAxon average_mass 494.7037 ChemAxon mono_mass 494.360739332 ChemAxon smiles CCC(C(C)C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C ChemAxon formula C29H50O6 ChemAxon inchi InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3 ChemAxon inchikey HJIKODJJEORHMZ-UHFFFAOYSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 135.01 ChemAxon polarizability 57.32 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 77871 Specdb::MsMs 77872 Specdb::MsMs 77873 Specdb::MsMs 138099 Specdb::MsMs 138100 Specdb::MsMs 138101 Specdb::MsMs 2332493 Specdb::MsMs 2332494 Specdb::MsMs 2332495 Specdb::MsMs 2632766 Specdb::MsMs 2632767 Specdb::MsMs 2632768 Specdb::CMs 11169 Specdb::CMs 41926 Specdb::CMs 124107 Specdb::CMs 175292 Specdb::CMs 910977 Specdb::CMs 910978 Specdb::CMs 910979 Specdb::CMs 910980 Specdb::CMs 910981 Specdb::CMs 910982 Specdb::CMs 910983 Specdb::CMs 910984 Specdb::CMs 910985 Specdb::CMs 910986 Specdb::CMs 910987 Specdb::CMs 910988 Specdb::CMs 910989 Specdb::CMs 910990 Specdb::CMs 910991 Specdb::CMs 910992 Specdb::CMs 910993 Specdb::CMs 910994 Specdb::CMs 910995 Specdb::CMs 910996 Specdb::CMs 910997 HMDB30423 #<Reference:0x000055ce2f271a70> Brassicas Unknown generic 3705