EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

(+)-digitoxigenin
3-beta,14-dioxy-digen-(20:22)-olid

Supplier Sponsors

Name:3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Number: 143-62-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:205-603-4
FDA UNII: S63WOD4VOL
Nikkaji Web:J5.822J
Beilstein Number:0095448
MDL:MFCD00003687
XlogP3:2.60 (est)
Molecular Weight:374.52078000
Formula:C23 H34 O4
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:pharmaceuticals / chemical synthisis
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 253.00 °C. @ 760.00 mm Hg
Boiling Point: 549.30 °C. @ 760.00 mm Hg (est)
Flash Point: 371.00 °F. TCC ( 188.20 °C. ) (est)
logP (o/w): 2.640
Soluble in:
 water, 24.46 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Digitoxigenin ≥95%
Odor: characteristic
Use: Digitoxigenin is a cardenolide and aglycone constituent of digitoxin, an extract from the foxglove plant, D. purpurea. Digitoxi
ExtraSynthese
For experimental / research use only.
Digitoxigenin (HPLC) ≥95%
Santa Cruz Biotechnology
For experimental / research use only.
Digitoxigenin 97%
Sigma-Aldrich: Sigma
For experimental / research use only.
Digitoxigenin
TCI AMERICA
For experimental / research use only.
(+)-Digitoxigenin >97.0%(HPLC)
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intravenous-cat LDLo 254 ug/kg
GASTROINTESTINAL: NAUSEA OR VOMITING
Journal of the American Pharmaceutical Association. Vol. 27, Pg. 189, 1938.

intravenous-guinea pig LDLo 1419 ug/kg
BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS CARDIAC: OTHER CHANGES BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.

intravenous-mouse LD50 1131 ug/kg
Life Sciences. Vol. 37, Pg. 775, 1985.

oral-mouse LD50 26170 ug/kg
BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS CARDIAC: OTHER CHANGES BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.

intravenous-rat LD50 1600 ug/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 848, 1961.

Dermal Toxicity:
subcutaneous-mouse LD50 11820 ug/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS CARDIAC: OTHER CHANGES
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
pharmaceuticals / chemical synthisis
Recommendation for (+)-digitoxigenin usage levels up to:
 not for fragrance use.
 
Recommendation for (+)-digitoxigenin flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :4369270
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Chemidplus:0000143624
RTECS:FH4975000 for cas# 143-62-4
 
References:
 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):4369270
Pubchem (sid):134973931
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2938.90.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
EFSA Update of results on the monitoring of furan levels in food:Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:Read Report
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 card-20(22)-enolide, 3,14-dihydroxy-, (3-beta,5-beta)-
 cardogenen-(20:22)-diol-(3-beta,14)
 cerberigenin
 digitoxigenin
 digitoxigenine
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
3-beta,14-dihydroxy-5-beta-card-20(22)-enolide
3-beta,14-dihydroxy-5-beta,14-beta-card-20(22)-enolide
3beta,14-dihydroxy-5beta-card-20(22)-enolide
3-beta,14-dioxy-carden-(20:22)-olid
3-beta,14-dioxy-digen-(20:22)-olid
 echujetin
 evonogenin
 thevetigenin
delta-sup(20:22)-3,14,21-trihydroxynorcholenic acid lactone
delta20:22-3,14,21-trihydroxynorcholenic acid lactone
delta-sup(20:22)-3,14,21-trihydroxynorcholenicacid lactone
 
 
Notes:
3 beta,14-dihydroxy-5 beta-card-20(22)enolide. a cardenolide which is the aglycon of digitoxin. synonyms: cerberigenin; echujetin; evonogenin; thevetigenin.
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