1.0 2010-04-08 22:10:07 UTC 2019-11-26 03:06:36 UTC FDB012345 Dolicholide Constituent of Dolichos lablab (hyacinth bean). Dolicholide is found in many foods, some of which are green bean, common bean, hyacinth bean, and yellow wax bean. 2-Butyl-3-methyl-pyrazine 2-Butyl-3-methylpyrazine 2-n-Butyl-3-methylpyrazine 2a,3a,22R,23R-Tetrahydroxy-B-homo-7-oxa-5a-ergost-24(28)-en-6-one, 9CI Pyrazine, 2-butyl-3-methyl- C28H46O6 478.6612 478.329439204 15-(3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadecan-8-one 15-(3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadecan-8-one 85228-11-1 CC(C)C(=C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C InChI=1S/C28H46O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14,16-25,29-32H,3,7-13H2,1-2,4-6H3 PPFRJNLKWADOTL-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 logp 2.41 ALOGPS logs -3.83 ALOGPS solubility 7.14e-02 g/l ALOGPS melting_point Mp 234-238° logp 2.86 ChemAxon pka_strongest_acidic 13.3 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 15-(3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadecan-8-one ChemAxon average_mass 478.6612 ChemAxon mono_mass 478.329439204 ChemAxon smiles CC(C)C(=C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C ChemAxon formula C28H46O6 ChemAxon inchi InChI=1S/C28H46O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14,16-25,29-32H,3,7-13H2,1-2,4-6H3 ChemAxon inchikey PPFRJNLKWADOTL-UHFFFAOYSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 130.11 ChemAxon polarizability 55.22 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12845 Specdb::CMs 43698 Specdb::CMs 149517 Specdb::MsMs 65880 Specdb::MsMs 65881 Specdb::MsMs 65882 Specdb::MsMs 123327 Specdb::MsMs 123328 Specdb::MsMs 123329 Specdb::MsMs 2670762 Specdb::MsMs 2670763 Specdb::MsMs 2670764 Specdb::MsMs 3010638 Specdb::MsMs 3010639 Specdb::MsMs 3010640 HMDB34086 #<Reference:0x000055ce3078bac8> Common bean Type 1 specific Phaseolus vulgaris 3885 Green bean Type 1 specific Phaseolus vulgaris 3885 Hyacinth bean Type 1 specific Lablab purpureus 35936 Pulses Unknown generic Yellow wax bean Type 1 specific Phaseolus vulgaris 3885