[(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate (CED0115378)

Record Information
Version1.0
Creation Date2026-08-22 12:03:51 UTC
Update Date2026-08-22 12:03:51 UTC
Accession NumberCHEM214610
Identification
Common Name[(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
ClassSmall Molecule
Description
[(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate belongs to the macrolactams, a class of phenylpropanoids and polyketides within the organic compounds. With an average molecular weight of 697.80 g/mol, [(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate is a heavy molecule. It has the chemical formula C37H47NO12. This compound has been found in or released from two recorded sources, specifically electric hearing aids and antennas within electrical and electronic equipment.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC37H47NO12
Average Molecular Mass697.800 g/mol
Monoisotopic Mass697.310 g/mol
CAS Registry Number6998-60-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
InChI KeyHJYYPODYNSCCOU-ODRIEIDWSA-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01qa-0000009000-0037ee00a74328d73224Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01wr-0000009000-2aebdcb9a7880989fe00Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0079-0000009000-625c5c74031590ebf81eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0000009000-296e9c896f08a1225c12Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0kbs-2000009000-7e370b18d35a586612fcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-3000009000-4c925f6e1bd34040c098Not AvailableView Spectrum
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
946.0Log mg/kg[530:1700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
506AntennasElectrical & Electronic EquipmentNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
DNA-directed RNA polymerase subunit beta structureClick to view 3D structureDNA-directed RNA polymerase subunit betaP9WGY9Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)0.155698
Click to view 3D structureGag-Pol polyproteinP03359Woolly monkey sarcoma virusPredicted (SEA)0.233548
Click to view 3D structureDNA polymerase betaQ8K409Mus musculusPredicted (SEA)0.233548
Click to view 3D structureDNA-directed RNA polymerase subunit betaB7UPE2Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)0.233548
Solute carrier organic anion transporter family member 1B1 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B1Q9Y6L6HumansPredicted (SEA)4.04816
Solute carrier organic anion transporter family member 1B3 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B3Q9NPD5HumansPredicted (SEA)2.88042
Click to view 3D structureSolute carrier organic anion transporter family member 1A4O35913Rattus norvegicusPredicted (SEA)0.0778492
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)60.0218
Click to view 3D structureSolute carrier organic anion transporter family member 2B1O94956HumansPredicted (SEA)26.2352
Click to view 3D structureBile salt export pumpO70127Rattus norvegicusPredicted (SEA)1.01204
NH(3)-dependent NAD(+) synthetase structureClick to view 3D structureNH(3)-dependent NAD(+) synthetaseP08164Bacillus subtilis (strain 168)Predicted (SEA)1.55698
Click to view 3D structureSolute carrier organic anion transporter family member 1A1P46720Rattus norvegicusPredicted (SEA)12.6116
Nuclear receptor subfamily 1 group I member 2 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 2O75469HumansPredicted (SEA)249.818
Click to view 3D structureDNA topoisomerase 2P15348Drosophila melanogasterPredicted (SEA)0.544945
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansPredicted (SEA)389.635
Click to view 3D structurePolyunsaturated fatty acid lipoxygenase ALOX15P12530Oryctolagus cuniculusPredicted (SEA)98.7907
Alpha-synuclein structureClick to view 3D structureAlpha-synucleinP37840HumansPredicted (SEA)68.0402
Caspase-1 structureClick to view 3D structureCaspase-1P29466HumansPredicted (SEA)377.569
Click to view 3D structureEndoplasminP41148Canis lupus familiarisPredicted (SEA)42.2721
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)1542.97
Heat shock protein HSP 90-beta structureClick to view 3D structureHeat shock protein HSP 90-betaP08238HumansPredicted (SEA)203.42
V-type proton ATPase subunit S1 structureClick to view 3D structureV-type proton ATPase subunit S1Q15904HumansPredicted (SEA)0.467095
Enoyl-[acyl-carrier-protein] reductase [NADH] structureClick to view 3D structureEnoyl-[acyl-carrier-protein] reductase [NADH]P9WGR1Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)13.2344
Mediator of RNA polymerase II transcription subunit 25 structureClick to view 3D structureMediator of RNA polymerase II transcription subunit 25Q71SY5HumansPredicted (SEA)8.32987
Click to view 3D structureV-type proton ATPase subunit CQ9U5N1Manduca sextaPredicted (SEA)1.71268
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available