[(1r,4r,6r,7s,17r)-4-ethyl-4-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate (CED0073711)

Record Information
Version1.0
Creation Date2026-08-20 06:35:07 UTC
Update Date2026-08-20 06:35:07 UTC
Accession NumberCHEM202234
Identification
Common Name[(1r,4r,6r,7s,17r)-4-ethyl-4-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate
ClassSmall Molecule
Description
[(1r,4r,6r,7s,17r)-4-ethyl-4-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate belongs to the alkaloids and derivatives, a superclass within the organic compounds. This compound has the chemical formula C20H29NO7 and an average molecular weight of 395.40 g/mol. It has been found in or released from 16 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, auxiliary devices, coils, communication cables or conductors, and discharge lamps, among seven other items. In the realm of food, food processing, and cookware, it is linked to the processing of fish and the preparation of vinegar. Additionally, it has been identified in household items such as credit card holders and in building and construction materials, specifically ladders.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC20H29NO7
Average Molecular Mass395.400 g/mol
Monoisotopic Mass395.194 g/mol
CAS Registry Number30000-36-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C20H29NO7/c1-5-20(25)10-12(2)19(4,28-13(3)22)17(23)26-11-14-6-8-21-9-7-15(16(14)21)27-18(20)24/h6,12,15-16,25H,5,7-11H2,1-4H3/t12-,15-,16-,19+,20-/m1/s1
InChI KeyIYLGZMTXKJYONK-ACLXAEORSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
119.0Log mg/kg[70:210]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
498LaddersBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
514Discharge LampsElectrical & Electronic EquipmentNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
531RelaysElectrical & Electronic EquipmentNot Available
533Sparking PlugsElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
572Credit Card HoldersHousehold itemsNot Available
577Watch ChainsHousehold itemsNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
584BuoysMarine, shipping & aquacultureNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
593Nautical InstrumentsMarine, shipping & aquacultureNot Available
601Lawn MowersAgriculture & land managementNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
621Chutes And SlidesRecreation & sports surfacesNot Available
630ToysRecreation & sports surfacesNot Available
640Embroidering And TuftingTextiles, leather & furnishingsNot Available
647Multicolour DyeingTextiles, leather & furnishingsNot Available
651Purses Money Bags WalletsTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
661UmbrellasTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureNeurogenic locus notch homolog protein 1Q01705Mus musculusPredicted (SEA)0.544945
Heterogeneous nuclear ribonucleoprotein A1 structureClick to view 3D structureHeterogeneous nuclear ribonucleoprotein A1P09651HumansPredicted (SEA)6.30579
Click to view 3D structureSodium/potassium-transporting ATPase subunit alpha-1P05024Sus scrofaPredicted (SEA)0.155698
DNA topoisomerase 1 structureClick to view 3D structureDNA topoisomerase 1P11387HumansPredicted (SEA)100.425
Click to view 3D structureAcidic phospholipase A2 2P15445Naja najaPredicted (SEA)0.544945
Click to view 3D structureSarcoplasmic/endoplasmic reticulum calcium ATPase 1O14983HumansPredicted (SEA)1.71268
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)1667.45
Click to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)384.497
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)73.1783
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)1967.56
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)4223.94
Phospholipase A2, membrane associated structureClick to view 3D structurePhospholipase A2, membrane associatedP14555HumansPredicted (SEA)1167.74
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)5334.7
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)5195.03
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)2816.04
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)2712.11
Click to view 3D structureTranscriptional activator MybP01103Gallus gallusPredicted (SEA)3.19182
Click to view 3D structureGamma-aminobutyric acid type B receptor subunit 1Q9Z0U4Rattus norvegicusPredicted (SEA)29.427
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7483.49
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)5987.85
Signal transducer and activator of transcription 3 structureClick to view 3D structureSignal transducer and activator of transcription 3P40763HumansPredicted (SEA)3311.32
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)2473.27
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)2919.66
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)6761.28
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)6325.02
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available