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

heteronemin
D-homoandrostano(17,17a-c)furan-5',12,16-triol, 5',17a-dihydro-4,4,8-trimethyl-, 5',16-diacetate, (5alpha,5'alpha,12beta,16beta,17aalpha)-

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Name:[(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetyloxy-13-hydroxy-5a,5b,8,8,11a,13a-hexamethyl-4,5,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-4-yl] acetate
CAS Number: 62008-04-2Picture of molecule3D/inchi
FDA UNII: Search
XlogP3-AA:6.10 (est)
Molecular Weight:488.66488000
Formula:C29 H44 O6
NMR Predictor:Predict (works with chrome, Edge 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: 559.68 °C. @ 760.00 mm Hg (est)
Flash Point: 341.00 °F. TCC ( 171.50 °C. ) (est)
logP (o/w): 5.804 (est)
Soluble in:
 water, 0.1159 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.
[(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetyloxy-13-hydroxy-5a,5b,8,8,11a,13a-hexamethyl-4,5,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-4-yl] acetate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Heteronemin
sds
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for heteronemin usage levels up to:
 not for fragrance use.
 
Recommendation for heteronemin 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 :72943
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
[(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetyloxy-13-hydroxy-5a,5b,8,8,11a,13a-hexamethyl-4,5,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-4-yl] acetate
Chemidplus:0062008042
 
References:
 [(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetyloxy-13-hydroxy-5a,5b,8,8,11a,13a-hexamethyl-4,5,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-4-yl] acetate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):72943
Pubchem (sid):135030058
 
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
Export Tariff Code:2932.90.5000
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:
[(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetyloxy-13-hydroxy-5a,5b,8,8,11a,13a-hexamethyl-4,5,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-4-yl] acetate
D-homoandrostano(17,17a-c)furan-5',12,16-triol, 5',17a-dihydro-4,4,8-trimethyl-, 5',16-diacetate, (5alpha,5'alpha,12beta,16beta,17aalpha)-
 

Articles:

PubMed:Antiproliferative effects of 12-oxoheteronemin vs heteronemin.
PubMed:Heteronemin, a marine sponge terpenoid, targets TDP-43, a key factor in several neurodegenerative disorders.
PubMed:In vitro characterisation of the anti-intravasative properties of the marine product heteronemin.
PubMed:Heteronemin, a spongean sesterterpene, inhibits TNF alpha-induced NF-kappa B activation through proteasome inhibition and induces apoptotic cell death.
PubMed:Scalarane sesterterpenoids: semisynthesis and biological activity.
PubMed:Antitubercular sesterterpenes from the Thai sponge Brachiaster sp.
PubMed:Marine natural products. XXXII. Absolute configurations of C-4 of the manoalide family, biologically active sesterterpenes from the marine sponge Hyrtios erecta.
 
Notes:
None found
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