1.0 2010-04-08 22:12:51 UTC 2019-11-26 03:14:15 UTC FDB017128 (24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol 3-glucoside Constituent of Lactarius volemus (tawny milkcap mushroom). (24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol 3-glucoside is found in mushrooms. (24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol 3-glucoside (3b,5b,8b,22E,24R)-5,8-Epidioxyergosta-6,22-dien-3-ol 3-glucoside (3b,5b,8b,22E,24R)-5,8-Epidioxyergosta-6,22-dien-3-ol 3-O-b-D-glucopyranoside (3b,5b,8b,22E,24R)-5,8-Epidioxyergosta-6,22-dien-3-ol 3-O-b-D-glucoside C34H54O8 590.7878 590.381868704 2-({5-[(3E)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 2-({5-[(3E)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 348144-81-0 CC(C)C(C)\C=C\C(C)C1CCC2C1(C)CCC1C3(C)CCC(CC33OOC21C=C3)OC1OC(CO)C(O)C(O)C1O InChI=1S/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/b8-7+ CKJZKFPVVUQBMB-BQYQJAHWSA-N belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. Steroidal glycosides Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds 1,2-dioxanes Acetals Dialkyl peroxides Diterpene glycosides Diterpenoids Ergostane steroids Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Dialkyl peroxide Diterpene glycoside Diterpenoid Ergostane-skeleton Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Ortho-dioxane Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroidal glycoside Terpene glycoside logp 4.40 ALOGPS logs -5.07 ALOGPS solubility 5.07e-03 g/l ALOGPS logp 4.58 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-({5-[(3E)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 590.7878 ChemAxon mono_mass 590.381868704 ChemAxon smiles CC(C)C(C)\C=C\C(C)C1CCC2C1(C)CCC1C3(C)CCC(CC33OOC21C=C3)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C34H54O8 ChemAxon inchi InChI=1S/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/b8-7+ ChemAxon inchikey CKJZKFPVVUQBMB-BQYQJAHWSA-N ChemAxon polar_surface_area 117.84 ChemAxon refractivity 159.24 ChemAxon polarizability 67.96 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 86028 Specdb::MsMs 86029 Specdb::MsMs 86030 Specdb::MsMs 148245 Specdb::MsMs 148246 Specdb::MsMs 148247 Specdb::MsMs 2687924 Specdb::MsMs 2687925 Specdb::MsMs 2687926 Specdb::MsMs 2994044 Specdb::MsMs 2994045 Specdb::MsMs 2994046 Specdb::CMs 23759 Specdb::CMs 45612 Specdb::CMs 282864 Specdb::CMs 418803 Specdb::CMs 418804 Specdb::CMs 418805 Specdb::CMs 418806 Specdb::CMs 418807 Specdb::CMs 418808 Specdb::CMs 418809 Specdb::CMs 418810 Specdb::CMs 418811 Specdb::CMs 418812 Specdb::CMs 418813 Specdb::CMs 418814 Specdb::CMs 418815 Specdb::CMs 418816 Specdb::CMs 418817 Specdb::CMs 418818 Specdb::CMs 418819 Specdb::CMs 418820 Specdb::CMs 418821 Specdb::CMs 418822 Specdb::CMs 418823 Specdb::CMs 418824 HMDB37956 #<Reference:0x000055ce323eeb70> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322