[(3s,5r,8r,9s,10s,13r,14s,16s,17r)-14-hydroxy-3-[(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2h-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate (CED0130454)

Record Information
Version1.0
Creation Date2026-08-22 11:01:34 UTC
Update Date2026-08-22 11:01:34 UTC
Accession NumberCHEM213874
Identification
Common Name[(3s,5r,8r,9s,10s,13r,14s,16s,17r)-14-hydroxy-3-[(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2h-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
ClassSmall Molecule
Description
[(3s,5r,8r,9s,10s,13r,14s,16s,17r)-14-hydroxy-3-[(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2h-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate belongs to the steroid lactones, a subclass of steroids and steroid derivatives within the organic compounds. With an average molecular weight of 576.70 g/mol, [(3s,5r,8r,9s,10s,13r,14s,16s,17r)-14-hydroxy-3-[(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2h-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate is a heavy molecule. It has the chemical formula C32H48O9. This compound is found in or released from two recorded sources, which include antennas, line transmission systems, and other electrical and electronic equipment.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC32H48O9
Average Molecular Mass576.700 g/mol
Monoisotopic Mass576.330 g/mol
CAS Registry Number465-16-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1
InChI KeyJLPDBLFIVFSOCC-XYXFTTADSA-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 Spectrumsplash10-014j-0003490000-5a2b48a3b1da1591116bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014j-0309620000-44ad0bc476f043dbc31fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udj-3709000000-4e1f0232082d24073d3fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0059-1000290000-16abcd2098c038fce667Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a59-4101930000-02f6f045a6ce32b65410Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-090u-4001900000-19864fff559b4884dbf4Not 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
42.0Log mg/kg[20:75]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
506AntennasElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot 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)0.0778492
Click to view 3D structureSodium/potassium-transporting ATPase subunit alpha-1P50997Canis lupus familiarisPredicted (SEA)0.0778492
Signal transducer and activator of transcription 3 structureClick to view 3D structureSignal transducer and activator of transcription 3P40763HumansPredicted (SEA)2.88042
Click to view 3D structureSolute carrier organic anion transporter family member 4C1Q6ZQN7HumansPredicted (SEA)0.0778492
E3 ubiquitin-protein ligase ZFP91 structureClick to view 3D structureE3 ubiquitin-protein ligase ZFP91Q96JP5HumansPredicted (SEA)0.700643
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)50.4463
Click to view 3D structurePotassium-transporting ATPase alpha chain 2P54707HumansPredicted (SEA)1.24559
Click to view 3D structureSodium/potassium-transporting ATPase subunit alpha-1P05024Sus scrofaPredicted (SEA)0.155698
Solute carrier organic anion transporter family member 1B1 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B1Q9Y6L6HumansPredicted (SEA)46.476
Sodium/potassium-transporting ATPase subunit alpha-1 structureClick to view 3D structureSodium/potassium-transporting ATPase subunit alpha-1P05023HumansPredicted (SEA)0.544945
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)258.849
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)345.028
Click to view 3D structureATP synthase subunit beta, mitochondrialP00830Saccharomyces cerevisiae S288cPredicted (SEA)0.389246
DNA topoisomerase 2-alpha structureClick to view 3D structureDNA topoisomerase 2-alphaP11388HumansPredicted (SEA)26.6244
Mineralocorticoid receptor structureClick to view 3D structureMineralocorticoid receptorP08235HumansPredicted (SEA)149.393
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)188.784
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)319.104
Click to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)133.745
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)37.9126
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)39.236
Click to view 3D structureEukaryotic initiation factor 4A-IP60843Mus musculusPredicted (SEA)1.08989
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)507.032
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)32.3074
Click to view 3D structureAndrogen receptorP19091Mus musculusPredicted (SEA)56.4407
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)1017.72
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available