1.0 2010-04-08 22:09:40 UTC 2018-05-28 22:27:45 UTC FDB011482 15-Acetyl-4-deoxynivalenol Mycotoxin production by Fusarium graminearum and Gibberella zeae. 15-Acetoxy-12,13-epoxy-3,7-dihydroxy-9-trichothecen-8-one 15-Acetyl-4-deoxynivalenol 15-Acetyldeoxynivalenol 15-acetylvomitoxin C17H22O7 338.3524 338.136553058 3',10'-dihydroxy-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate 3',10'-dihydroxy-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate 88337-96-6 CC(=O)OCC12C(O)C(=O)C(C)=CC1OC1C(O)CC2(C)C11CO1 InChI=1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3 IDGRYIRJIFKTAN-UHFFFAOYSA-N belongs to the class of organic compounds known as purine 2'-deoxyribonucleosides. Purine 2'-deoxyribonucleosides are compounds consisting of a purine linked to a ribose which lacks a hydroxyl group at position 2. Purine 2'-deoxyribonucleosides Organic compounds Nucleosides, nucleotides, and analogues Purine nucleosides Purine 2'-deoxyribonucleosides Aromatic heteropolycyclic compounds 6-oxopurines Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hypoxanthines N-substituted imidazoles Organic oxides Organopnictogen compounds Oxacyclic compounds Primary alcohols Primary amines Pyrimidones Secondary alcohols Tetrahydrofurans Vinylogous amides 6-oxopurine Alcohol Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Hypoxanthine Imidazole Imidazopyrimidine N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary alcohol Primary amine Purine Purine 2'-deoxyribonucleoside Purinone Pyrimidine Pyrimidone Secondary alcohol Tetrahydrofuran Vinylogous amide a deoxynucleoside a purine-related compound logp -0.54 ALOGPS logs -1.73 ALOGPS solubility 6.31e+00 g/l ALOGPS melting_point Mp 140-141° logp -0.53 ChemAxon pka_strongest_acidic 12.74 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 3',10'-dihydroxy-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate ChemAxon average_mass 338.3524 ChemAxon mono_mass 338.136553058 ChemAxon smiles CC(=O)OCC12C(O)C(=O)C(C)=CC1OC1C(O)CC2(C)C11CO1 ChemAxon formula C17H22O7 ChemAxon inchi InChI=1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3 ChemAxon inchikey IDGRYIRJIFKTAN-UHFFFAOYSA-N ChemAxon polar_surface_area 105.59 ChemAxon refractivity 80.77 ChemAxon polarizability 33.29 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 119958 Specdb::NmrOneD 119959 Specdb::NmrOneD 119960 Specdb::NmrOneD 119961 Specdb::NmrOneD 119962 Specdb::NmrOneD 119963 Specdb::NmrOneD 119964 Specdb::NmrOneD 119965 Specdb::NmrOneD 119966 Specdb::NmrOneD 119967 Specdb::NmrOneD 119968 Specdb::NmrOneD 119969 Specdb::NmrOneD 119970 Specdb::NmrOneD 119971 Specdb::NmrOneD 119972 Specdb::NmrOneD 119973 Specdb::NmrOneD 119974 Specdb::NmrOneD 119975 Specdb::NmrOneD 119976 Specdb::NmrOneD 119977 Specdb::MsMs 47607 Specdb::MsMs 47608 Specdb::MsMs 47609 Specdb::MsMs 175500 Specdb::MsMs 175501 Specdb::MsMs 175502 Specdb::MsMs 2320514 Specdb::MsMs 2320515 Specdb::MsMs 2320516 Specdb::MsMs 2619011 Specdb::MsMs 2619012 Specdb::MsMs 2619013 Specdb::CMs 9315 Specdb::CMs 43294 Specdb::CMs 117614 Specdb::CMs 152370 Specdb::CMs 811217 Specdb::CMs 811218 Specdb::CMs 811219 Specdb::CMs 811220 Specdb::CMs 811221 Specdb::CMs 811222 Specdb::CMs 811223 Specdb::CMs 811224 Specdb::CMs 811225 Specdb::CMs 811226 Specdb::CMs 811227 HMDB33444 #<Reference:0x0000561273705130>