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

didrovaltrate
dihydroisovalepotriate

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Name:[(1S,4aS,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
CAS Number: 18296-45-2Picture of molecule3D/inchi
Other(deleted CASRN):16088-53-2
ECHA EINECS - REACH Pre-Reg:242-175-8
FDA UNII: KEN63D125F
Nikkaji Web:J55.702A
XlogP3-AA:2.30 (est)
Molecular Weight:424.49064000
Formula:C22 H32 O8
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
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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
Soluble in:
 water, 6.952 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.
Didrovaltrate >97%
Odor: characteristic
Use: Didrovaltrate is a natural iridoid compound found in several plants.
 
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 didrovaltrate usage levels up to:
 not for fragrance use.
 
Recommendation for didrovaltrate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :65689
National Institute of Allergy and Infectious Diseases:Data
[(1S,4aS,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
Chemidplus:0018296452
 
References:
 [(1S,4aS,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):65689
Pubchem (cas):18296-45-2
 
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):C09776
HMDB (The Human Metabolome Database):HMDB34492
FooDB:FDB012985
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,4aS,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
 dihydroisovalepotriate
 dihydroisovaltrate
 dihydroisovaltratum
1,4a,5,7a-tetrahydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7(6H),2'-oxirane)-4-methanol 6-acetate 1,4-diisovalerate
isovaleric acid, 3,4-diester with 3a,4,5,6-tetrahydro-6-(hydroxymethyl)spiro(benzofuran-2(3H),2'-oxirane)-3,4-diol, 6-acetate (8CI)
(7S)-6alpha-Acetoxy-1-alpha-isovaleryloxy-4-isovaleryloxymethyl-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta(c)pyran-7-spiro-2'-oxiran
 

Articles:

PubMed:[Mass spectrum characterization of five valepotriates by electrospray ionization tandem mass spectrometry].
PubMed:Effect of didrovaltrate on I-calcium current in rabbit ventricular myocytes.
PubMed:Concise synthesis of 5,6-dihydrovaltrate leading to enhanced Rev-export inhibitory congener.
PubMed:Preserved pharmacological activity of hepatocytes-treated extracts of valerian and St. John's wort.
PubMed:Control of development and valepotriate production by auxins in micropropagated Valeriana glechomifolia.
PubMed:[Interspecific and intraspecific comparison of valepotrates contents in three Valeriana plants].
PubMed:Quantitative determination of valepotriates from Valeriana native to South Brazil.
PubMed:Cytotoxic potential of valerian constituents and valerian tinctures.
PubMed:Production of valepotriates by hairy root cultures of Centranthus ruber DC.
PubMed:Effect of valepotriates on the behavior of rats in the elevated plus-maze during diazepam withdrawal.
PubMed:High-yield production of valepotriates by hairy root cultures of Valeriana officnalis L. var. sambucifolia Mikan.
PubMed:Valerian-derived sedative agents. I. On the structure and spectral assignment of the constituents of valmane using the selective INEPT nuclear magnetic resonance technique.
PubMed:Effects of thiol compounds versus the cytotoxicity of valepotriates on cultured hepatoma cells.
PubMed:The Structure of New Valepotriates from Tissue Cultures of Valeriana wallichii.
PubMed:[The synthesis of valperinol and various 3-aminomethyl derivatives of 2,9-dioxatricyclo[4,3,1,0(3,7)]decane from didrovaltrate].
PubMed:Valepotriate content in different in vitro cultures of Valerianaceae and characterization of Valeriana officinalis L. callus during a growth period.
PubMed:Antispasmodic effects of valeriana compounds: an in-vivo and in-vitro study on the guinea-pig ileum.
PubMed:HPCL Separation and quantitative determination of valepotriates from Valeriana kilimandascharica.
PubMed:[In vitro- and vivo-metabolism of 14C-didrovaltrate (author's transl)].
 
Notes:
Isol. from Valeriana spp.
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