Articles:
olean-12-en-28-oic acid, 22beta,24-dihydroxy-3-oxo-, 22-(2-methylcrotonate), (Z)-
Notes:
isolated from lippia rehmanni & certain other south african plants.
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| CAS Number: | 561-47-7 |  3D/inchi
|
| Other(deleted CASRN): | 17660-28-5 | |
| XlogP3-AA: | 7.10 (est) | |
| Molecular Weight: | 568.79464000 | |
| Formula: | C35 H52 O6 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
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 |
| Boiling Point: | 659.39 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 391.00 °F. TCC ( 199.60 °C. ) (est) |
| logP (o/w): | 6.918 (est) |
| Soluble in: | |
| water, 0.003484 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. |
| Icterogenin 98% |
Safety Information:
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for icterogenin usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for icterogenin 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 : | 6441270 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid | |
| Chemidplus: | 0000561477 |
References:
| (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6441270 |
| Pubchem (sid): | 135121439 |
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 |
| HMDB (The Human Metabolome Database): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| lippia rehmanni Search Trop Picture |
Synonyms:
| crotonic acid, 2-methyl-, 22-ester with 22beta,24-dihydroxy-3-oxoolean-12-en-28-oic acid, (Z)- | |
| (4beta,22beta)-23- | hydroxy-22-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-3-oxoolean-12-en-28-oic acid |
| 23- | hydroxy-22beta(Z)-((2-methyl-1-oxo-2-butenyl)oxy)-3-oxo-4beta-olean-12-en-28-oic acid |
| (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-( | hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid |
| olean-12-en-28-oic acid, 22beta,24-dihydroxy-3-oxo-, 22-(2-methylcrotonate), (Z)- | |
| olean-12-en-28-oic acid, 23-hydroxy-22-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-3-oxo-, (4beta,22beta)- |