1.0 2010-04-08 22:12:49 UTC 2019-11-26 03:14:09 UTC FDB017070 (2beta,3alpha,9alpha,24R)-Ergosta-7,22-diene-2,3,9-triol Metabolite of Ganoderma lucidum (reishi). (2beta,3alpha,9alpha,24R)-Ergosta-7,22-diene-2,3,9-triol is found in mushrooms. C28H46O3 430.663 430.344695338 (1S,2S,4S,5S,14R,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-ene-1,4,5-triol (1S,2S,4S,5S,14R,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-ene-1,4,5-triol CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2C3=CCC4C[C@H](O)[C@@H](O)C[C@]4(C)[C@@]3(O)CC[C@]12C InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)21-11-12-22-23-10-9-20-15-24(29)25(30)16-27(20,6)28(23,31)14-13-26(21,22)5/h7-8,10,17-22,24-25,29-31H,9,11-16H2,1-6H3/b8-7+/t18-,19+,20?,21+,22?,24-,25-,26+,27-,28+/m0/s1 RVWGLBNUTMYAOL-LJJGXUKZSA-N belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Ergosterols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Aliphatic homopolycyclic compounds 3-alpha-hydroxysteroids 3-hydroxy delta-7-steroids Cyclic alcohols and derivatives Delta-7-steroids Hydrocarbon derivatives Polyols Secondary alcohols Tertiary alcohols 2-hydroxysteroid 3-alpha-hydroxysteroid 3-hydroxy-delta-7-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Delta-7-steroid Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Polyol Secondary alcohol Tertiary alcohol logp 5.04 ALOGPS logs -4.84 ALOGPS solubility 6.24e-03 g/l ALOGPS melting_point Mp 253° logp 4.96 ChemAxon pka_strongest_acidic 13.56 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (1S,2S,4S,5S,14R,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-ene-1,4,5-triol ChemAxon average_mass 430.663 ChemAxon mono_mass 430.344695338 ChemAxon smiles CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2C3=CCC4C[C@H](O)[C@@H](O)C[C@]4(C)[C@@]3(O)CC[C@]12C ChemAxon formula C28H46O3 ChemAxon inchi InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)21-11-12-22-23-10-9-20-15-24(29)25(30)16-27(20,6)28(23,31)14-13-26(21,22)5/h7-8,10,17-22,24-25,29-31H,9,11-16H2,1-6H3/b8-7+/t18-,19+,20?,21+,22?,24-,25-,26+,27-,28+/m0/s1 ChemAxon inchikey RVWGLBNUTMYAOL-LJJGXUKZSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 129.02 ChemAxon polarizability 52.82 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19698 Specdb::CMs 45586 Specdb::CMs 161285 Specdb::MsMs 107760 Specdb::MsMs 107761 Specdb::MsMs 107762 Specdb::MsMs 174822 Specdb::MsMs 174823 Specdb::MsMs 174824 Specdb::MsMs 2420832 Specdb::MsMs 2420833 Specdb::MsMs 2420834 Specdb::MsMs 2544397 Specdb::MsMs 2544398 Specdb::MsMs 2544399 HMDB37914 #<Reference:0x000055ce32db61d0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322