1.0 2010-04-08 22:11:45 UTC 2019-11-26 03:11:22 UTC FDB015282 Ganosporelactone B Isolated from the spores of Ganoderma lucidum (reishi). Ganosporelactone B is found in mushrooms. C30H42O7 514.6503 514.293053698 10',16',20'-trihydroxy-2',4,7',9',13',17',17'-heptamethylspiro[oxolane-2,5'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-1'(12')-ene-3',5,11'-trione 10',16',20'-trihydroxy-2',4,7',9',13',17',17'-heptamethylspiro[oxolane-2,5'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-1'(12')-ene-3',5,11'-trione 138008-05-6 CC1CC2(CC(C)C(=O)O2)C2C1C1(C)C(O)C(=O)C3=C(C(O)CC4C(C)(C)C(O)CCC34C)C1(C)C2=O InChI=1S/C30H42O7/c1-13-11-30(12-14(2)25(36)37-30)21-18(13)28(6)24(35)22(33)20-19(29(28,7)23(21)34)15(31)10-16-26(3,4)17(32)8-9-27(16,20)5/h13-18,21,24,31-32,35H,8-12H2,1-7H3 FLFQDUNKJSXJOT-UHFFFAOYSA-N belongs to the class of organic compounds known as withanolides and derivatives. These are c28 steroids structurally characterized by an ergostane skeleton usually functionalized at carbons 1, 22 and 26 to form a lactone ring. Withanolides and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Aliphatic heteropolycyclic compounds 11-oxosteroids 12-hydroxysteroids 3-hydroxysteroids 7-hydroxysteroids Carboxylic acid esters Cyclic alcohols and derivatives Cyclohexenones Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Polyols Secondary alcohols Tetrahydrofurans Triterpenoids 11-oxosteroid 12-hydroxysteroid 15-oxosteroid 3-hydroxysteroid 7-hydroxysteroid Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclohexenone Gamma butyrolactone Hydrocarbon derivative Hydroxysteroid Ketone Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxosteroid Polyol Secondary alcohol Tetrahydrofuran Triterpenoid Withanolide-skeleton logp 2.78 ALOGPS logs -4.39 ALOGPS solubility 2.12e-02 g/l ALOGPS melting_point Mp 235-237° logp 2.75 ChemAxon pka_strongest_acidic 12.89 ChemAxon pka_strongest_basic -0.81 ChemAxon iupac 10',16',20'-trihydroxy-2',4,7',9',13',17',17'-heptamethylspiro[oxolane-2,5'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-1'(12')-ene-3',5,11'-trione ChemAxon average_mass 514.6503 ChemAxon mono_mass 514.293053698 ChemAxon smiles CC1CC2(CC(C)C(=O)O2)C2C1C1(C)C(O)C(=O)C3=C(C(O)CC4C(C)(C)C(O)CCC34C)C1(C)C2=O ChemAxon formula C30H42O7 ChemAxon inchi InChI=1S/C30H42O7/c1-13-11-30(12-14(2)25(36)37-30)21-18(13)28(6)24(35)22(33)20-19(29(28,7)23(21)34)15(31)10-16-26(3,4)17(32)8-9-27(16,20)5/h13-18,21,24,31-32,35H,8-12H2,1-7H3 ChemAxon inchikey FLFQDUNKJSXJOT-UHFFFAOYSA-N ChemAxon polar_surface_area 121.13 ChemAxon refractivity 135.78 ChemAxon polarizability 55.88 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18596 Specdb::CMs 44855 Specdb::CMs 177795 Specdb::CMs 280861 Specdb::MsMs 104997 Specdb::MsMs 104998 Specdb::MsMs 104999 Specdb::MsMs 171396 Specdb::MsMs 171397 Specdb::MsMs 171398 Specdb::MsMs 2277809 Specdb::MsMs 2277810 Specdb::MsMs 2277811 Specdb::MsMs 3087052 Specdb::MsMs 3087053 Specdb::MsMs 3087054 HMDB36403 #<Reference:0x000055ce32d29500> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322