1.0 2010-04-08 22:12:50 UTC 2025-11-19 01:52:07 UTC FDB017110 Ergosterol peroxide obtained from leaves of Ananas comosus (pineapple). Ergosterol peroxide is found in pineapple and fruits. (-)-5alpha,8alpha-Epidioxyergosta-6,22-dien-3beta-ol 5a,8a-Peroxyergosterol 5alpha,8alpha-Epidioxyergosta-6,22-dien-3beta-ol Ergosterol 5α,8α-epidioxide Ergosterol endoperoxide Ergosterol peroxide ERGOSTEROL-5,8-PEROXIDE O-(trifluoromethyl)cinnamic acid Peroxyergosterol C28H44O3 428.6472 428.329045274 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-ol 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-ol 2061-64-5 CC(C)C(C)\C=C\C(C)C1CCC2C1(C)CCC1C3(C)CCC(O)CC33OOC21C=C3 InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+ VXOZCESVZIRHCJ-BQYQJAHWSA-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 6.27 ALOGPS logs -7.33 ALOGPS solubility 2.01e-05 g/l ALOGPS melting_point Mp 181.5-183° (176-198°) logp 6.35 ChemAxon pka_strongest_acidic 15.15 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 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-ol ChemAxon average_mass 428.6472 ChemAxon mono_mass 428.329045274 ChemAxon smiles CC(C)C(C)\C=C\C(C)C1CCC2C1(C)CCC1C3(C)CCC(O)CC33OOC21C=C3 ChemAxon formula C28H44O3 ChemAxon inchi InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+ ChemAxon inchikey VXOZCESVZIRHCJ-BQYQJAHWSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 126.82 ChemAxon polarizability 51.75 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18481 Specdb::CMs 45599 Specdb::CMs 133398 Specdb::CMs 141132 Specdb::MsMs 52089 Specdb::MsMs 52090 Specdb::MsMs 52091 Specdb::MsMs 112161 Specdb::MsMs 112162 Specdb::MsMs 112163 Specdb::MsMs 2412361 Specdb::MsMs 2412362 Specdb::MsMs 2412363 Specdb::MsMs 2549422 Specdb::MsMs 2549423 Specdb::MsMs 2549424 HMDB37941 Fruits Unknown generic Pineapple Type 1 specific Ananas comosus 4615