1.0 2010-04-08 22:09:13 UTC 2019-11-26 03:03:55 UTC FDB010621 (3beta,22E,24R)-5,8-Epidioxy-23-methylergosta-6,22-dien-3-ol Constituent of Lentinus edodes (shiitake). (3beta,22E,24R)-5,8-Epidioxy-23-methylergosta-6,22-dien-3-ol is found in mushrooms. C29H46O3 442.6737 442.344695338 6,10-dimethyl-5-[(3E)-4,5,6-trimethylhept-3-en-2-yl]-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol 6,10-dimethyl-5-[(3E)-4,5,6-trimethylhept-3-en-2-yl]-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol 211486-11-2 CC(C)C(C)C(\C)=C\C(C)C1CCC2C1(C)CCC1C3(C)CCC(O)CC33OOC21C=C3 InChI=1S/C29H46O3/c1-18(2)21(5)19(3)16-20(4)23-8-9-24-26(23,6)12-11-25-27(7)13-10-22(30)17-28(27)14-15-29(24,25)32-31-28/h14-16,18,20-25,30H,8-13,17H2,1-7H3/b19-16+ BEFYGZGLHDYVIF-KNTRCKAVSA-N belongs to the class of organic compounds known as ergostane steroids. These are steroids with a structure based on the ergostane skeleton, which arises from the methylation of cholestane at the 24-position. Ergostane steroids Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Aliphatic heteropolycyclic compounds 1,2-dioxanes Cyclic alcohols and derivatives Dialkyl peroxides Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl peroxide Ergostane-skeleton Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Ortho-dioxane Oxacycle Secondary alcohol logp 6.51 ALOGPS logs -6.70 ALOGPS solubility 8.80e-05 g/l ALOGPS logp 6.59 ChemAxon pka_strongest_acidic 15.15 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 6,10-dimethyl-5-[(3E)-4,5,6-trimethylhept-3-en-2-yl]-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol ChemAxon average_mass 442.6737 ChemAxon mono_mass 442.344695338 ChemAxon smiles CC(C)C(C)C(\C)=C\C(C)C1CCC2C1(C)CCC1C3(C)CCC(O)CC33OOC21C=C3 ChemAxon formula C29H46O3 ChemAxon inchi InChI=1S/C29H46O3/c1-18(2)21(5)19(3)16-20(4)23-8-9-24-26(23,6)12-11-25-27(7)13-10-22(30)17-28(27)14-15-29(24,25)32-31-28/h14-16,18,20-25,30H,8-13,17H2,1-7H3/b19-16+ ChemAxon inchikey BEFYGZGLHDYVIF-KNTRCKAVSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 131.11 ChemAxon polarizability 53.55 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22637 Specdb::CMs 42904 Specdb::CMs 155522 Specdb::MsMs 68511 Specdb::MsMs 68512 Specdb::MsMs 68513 Specdb::MsMs 126564 Specdb::MsMs 126565 Specdb::MsMs 126566 Specdb::MsMs 2337769 Specdb::MsMs 2337770 Specdb::MsMs 2337771 Specdb::MsMs 2624549 Specdb::MsMs 2624550 Specdb::MsMs 2624551 HMDB32668 #<Reference:0x000055ce316b5d00> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322