1.0 2010-04-08 22:12:12 UTC 2025-11-19 01:42:01 UTC FDB016054 Sporol Mycotoxin from Fusarium sporotrichioides MC-72083 [3S-(3alpha,4abeta,5aalpha,7b,8aalpha,8balpha)]-Hexahydro-3,8a-dimethyl-4a,7-Epoxy-3,8b-ethano-1H,5aH-cyclopenta[4,5]furo[3,2-c]pyran-5a-methanol Helminthosporol C15H22O4 266.3328 266.151809192 {2,10-dimethyl-7,11,15-trioxapentacyclo[8.2.2.1⁴,⁸.0¹,⁸.0²,⁶]pentadecan-6-yl}methanol {2,10-dimethyl-7,11,15-trioxapentacyclo[8.2.2.1⁴,⁸.0¹,⁸.0²,⁶]pentadecan-6-yl}methanol 101401-88-1 CC12CC3CC1(CO)OC1(CC4(C)CCC21CO4)O3 InChI=1S/C15H22O4/c1-11-3-4-13(9-17-11)12(2)5-10-6-14(12,8-16)19-15(13,7-11)18-10/h10,16H,3-9H2,1-2H3 RGGZJNLZRGIMHQ-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,3-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 3, respectively. 1,3-dioxepanes Organic compounds Organoheterocyclic compounds Dioxepanes 1,3-dioxepanes Aliphatic heteropolycyclic compounds 1,3-dioxanes Dialkyl ethers Hydrocarbon derivatives Ketals Oxacyclic compounds Oxanes Oxepanes Primary alcohols Tetrahydrofurans 1,3-dioxepane Acetal Alcohol Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Ketal Meta-dioxane Organic oxygen compound Organooxygen compound Oxacycle Oxane Oxepane Primary alcohol Tetrahydrofuran logp 0.79 ALOGPS logs -2.00 ALOGPS solubility 2.66e+00 g/l ALOGPS logp 1.07 ChemAxon pka_strongest_acidic 14.34 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac {2,10-dimethyl-7,11,15-trioxapentacyclo[8.2.2.1⁴,⁸.0¹,⁸.0²,⁶]pentadecan-6-yl}methanol ChemAxon average_mass 266.3328 ChemAxon mono_mass 266.151809192 ChemAxon smiles CC12CC3CC1(CO)OC1(CC4(C)CCC21CO4)O3 ChemAxon formula C15H22O4 ChemAxon inchi InChI=1S/C15H22O4/c1-11-3-4-13(9-17-11)12(2)5-10-6-14(12,8-16)19-15(13,7-11)18-10/h10,16H,3-9H2,1-2H3 ChemAxon inchikey RGGZJNLZRGIMHQ-UHFFFAOYSA-N ChemAxon polar_surface_area 47.92 ChemAxon refractivity 67.06 ChemAxon polarizability 28.38 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22563 Specdb::CMs 45213 Specdb::CMs 172944 Specdb::MsMs 80997 Specdb::MsMs 80998 Specdb::MsMs 80999 Specdb::MsMs 141999 Specdb::MsMs 142000 Specdb::MsMs 142001 Specdb::MsMs 2450059 Specdb::MsMs 2450060 Specdb::MsMs 2450061 Specdb::MsMs 2486094 Specdb::MsMs 2486095 Specdb::MsMs 2486096 HMDB37070 #<Reference:0x000055ce31dde168>