1.0 2010-04-08 22:11:20 UTC 2019-11-26 03:10:19 UTC FDB014547 Ganoderenic acid E Constituent of Ganoderma lucidum (reishi). Ganoderenic acid E is found in mushrooms. Ganoderenic acid E C30H40O8 528.6338 528.272318256 (5E)-6-{9,16-dihydroxy-2,6,6,11,15-pentamethyl-5,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxohept-5-enoic acid (5E)-6-{9,16-dihydroxy-2,6,6,11,15-pentamethyl-5,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxohept-5-enoic acid 110241-23-1 CC(CC(=O)\C=C(/C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(O)=O InChI=1S/C30H40O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h10,15,17-19,25,32,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10+ UFIFFDILGAASQL-GXDHUFHOSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic homopolycyclic compounds 11-oxosteroids 12-hydroxysteroids 3-oxosteroids 7-hydroxysteroids Acryloyl compounds Carboxylic acids Cyclohexenones Enones Gamma-keto acids and derivatives Hydrocarbon derivatives Hydroxy fatty acids Medium-chain keto acids and derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Steroid acids Unsaturated fatty acids 11-oxosteroid 12-hydroxysteroid 15-oxosteroid 23-oxosteroid 3-oxosteroid 7-hydroxysteroid Acryloyl-group Alcohol Aliphatic homopolycyclic compound Alpha,beta-unsaturated ketone Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic ketone Cyclohexenone Enone Fatty acyl Gamma-keto acid Hydrocarbon derivative Hydroxy fatty acid Hydroxysteroid Keto acid Ketone Medium-chain keto acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Secondary alcohol Steroid Steroid acid Triterpenoid Unsaturated fatty acid logp 2.99 ALOGPS logs -4.41 ALOGPS solubility 2.07e-02 g/l ALOGPS melting_point Mp 227-229° (Me ester) logp 3.11 ChemAxon pka_strongest_acidic 4.13 ChemAxon pka_strongest_basic -3 ChemAxon iupac (5E)-6-{9,16-dihydroxy-2,6,6,11,15-pentamethyl-5,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxohept-5-enoic acid ChemAxon average_mass 528.6338 ChemAxon mono_mass 528.272318256 ChemAxon smiles CC(CC(=O)\C=C(/C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(O)=O ChemAxon formula C30H40O8 ChemAxon inchi InChI=1S/C30H40O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h10,15,17-19,25,32,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10+ ChemAxon inchikey UFIFFDILGAASQL-GXDHUFHOSA-N ChemAxon polar_surface_area 146.04 ChemAxon refractivity 140.27 ChemAxon polarizability 56.7 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 46710 Specdb::MsMs 46711 Specdb::MsMs 46712 Specdb::MsMs 114681 Specdb::MsMs 114682 Specdb::MsMs 114683 Specdb::MsMs 2273025 Specdb::MsMs 2273026 Specdb::MsMs 2273027 Specdb::MsMs 3068907 Specdb::MsMs 3068908 Specdb::MsMs 3068909 Specdb::CMs 16324 Specdb::CMs 44568 Specdb::CMs 187502 Specdb::CMs 187503 Specdb::CMs 187504 Specdb::CMs 187505 Specdb::CMs 187506 Specdb::CMs 187507 Specdb::CMs 187508 Specdb::CMs 187509 Specdb::CMs 187510 Specdb::CMs 187511 Specdb::CMs 187512 Specdb::CMs 187513 Specdb::CMs 187514 Specdb::CMs 187515 Specdb::CMs 187516 Specdb::CMs 187517 Specdb::CMs 187518 Specdb::CMs 187519 Specdb::CMs 187520 Specdb::CMs 187521 Specdb::CMs 187522 Specdb::CMs 187523 Specdb::CMs 187524 HMDB35797 #<Reference:0x000055ce31fe7f18> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322