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3-beta,14-dioxy-digen-(20:22)-olid
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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| CAS Number: | 143-62-4 |  3D/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 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 |