barringtogenol C
theasapogenol B
 
Notes:
None found
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CAS Number: 13844-01-4Picture of molecule3D/inchi
FDA UNII: EXS7QH1WV9
Nikkaji Web: J15.430J
XlogP3-AA: 4.60 (est)
Molecular Weight: 490.72450000
Formula: C30 H50 O5
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
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 0.1137 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for barringtogenol C usage levels up to:
 not for fragrance use.
 
Recommendation for barringtogenol C flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 185465
National Institute of Allergy and Infectious Diseases: Data
 (3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
Chemidplus: 0013844014
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References:
 (3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 185465
Pubchem (cas): 13844-01-4
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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
KEGG (GenomeNet): C08931
HMDB (The Human Metabolome Database): HMDB34525
FooDB: FDB013026
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 camellia sinensis
Search Trop  Picture
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Synonyms:
22-O-acetyl-21-O-(4'-O-angeloyl)-beta-d-fucopyranosyl theasapogenol B
 careyagenol A
 giganteumgenin M
(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
 jegosapogenol A
(3beta,16alpha,21beta,22alpha)-olean-12-ene-3,16,21,22,28-pentol
 olean-12-ene-3beta,16alpha,21beta,22alpha,28-pentol
 proschiwalligenin PB1
 saniculagenin D
 theasapogenol B
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Articles:
PubMed: Oleanane-type glycosides from Pittosporum tenuifolium "variegatum" and P. tenuifolium "gold star".
PubMed: Paviosides A-H, eight new oleane type saponins from Aesculus pavia with cytotoxic activity.
PubMed: Cytotoxic triterpenoid saponins from the stem bark of Antonia ovata.
PubMed: Triterpenoid prosapogenols and prosapogenins from the husks of Xanthoceras sorbifolia.
PubMed: Two new triterpenoids from the carpophore of Xanthoceras sorbifolia Bunge.
PubMed: Two new triterpenoids from the carpophore of Xanthoceras sorbifolia Bunge.
PubMed: Isotheasaponins B1-B3 from Camellia sinensis var. sinensis tea leaves.
PubMed: Haemolytic acylated triterpenoid saponins from Harpullia austro-caledonica.
PubMed: Acylated triterpenoid saponins from the stem bark of Foetidia africana.
PubMed: Triterpenoid saponins and acylated prosapogenins from Harpullia austro-caledonica.
PubMed: Antisweet natural products. XV. Structures of Jegosaponins A-D from Styrax japonica Sieb. et Zucc.
PubMed: [Chemical constituents of seeds of Camellia sinensis var. assamica].
PubMed: Saponins from Hacquetia epipactis.
PubMed: Saponins from Barringtonia acutangula.
PubMed: Saponins from stem bark of Petersianthus macrocarpus.
PubMed: Antitumor agents, 82. Cytotoxic sapogenols from Aesculus hippocastanum.
PubMed: Structure of Triterpene-Sapogenins of Aesculus glabra1.
PubMed: [Isolation of barringtogenol C-esters from Eryngium planum L].
PubMed: [Constituents of horse chestnut. VII. O-isopropylidene derivatives of protoescigenin, barringtogenol C, and their 21-angelic (tiglic) acid and 28-angelic (tiglic) acid esters].
PubMed: On genuine sapogenins of horse chestnut saponins by means of soil bacterial hydrolysis and a new minor sapogenin: 16-desoxy-barringtogenol C.
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