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

acevaltrate
acetoxyvaltrate

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Name:[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate
CAS Number: 25161-41-5Picture of molecule3D/inchi
Other(deleted CASRN):23067-35-8
ECHA EINECS - REACH Pre-Reg:246-685-1
FDA UNII: S9MFK45GY9
Nikkaji Web:J236.070E
XlogP3-AA:0.90 (est)
Molecular Weight:480.51104000
Formula:C24 H32 O10
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
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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, 9.669 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.
Acevaltrate >98%
Odor: characteristic
Use: Acevaltrate 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 acevaltrate usage levels up to:
 not for fragrance use.
 
Recommendation for acevaltrate 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 :65717
National Institute of Allergy and Infectious Diseases:Data
[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate
Chemidplus:0025161415
 
References:
 [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):65717
Pubchem (cas):25161-41-5
 
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):C16752
HMDB (The Human Metabolome Database):HMDB34494
FooDB:FDB012987
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
 found in nature
 
Synonyms:
 acetovaltrate
 acetoxyvaltrate
[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate
 acevaltratum
1,7a-dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7(6H), 2'-oxirane)-4-methanol 4-acetate 1(or 6)-isovalerate 6(or 1)-(3-hydroxy-3-methylbutyrate, acetate)
 

Articles:

PubMed:Flexible and powerful strategy for qualitative and quantitative analysis of valepotriates in Valeriana jatamansi Jones using high-performance liquid chromatography with linear ion trap Orbitrap mass spectrometry.
PubMed:[Mass spectrum characterization of five valepotriates by electrospray ionization tandem mass spectrometry].
PubMed:Effect of storage time and conditions on the diene valepotriates content of the extract of Valeriana glechomifolia obtained by supercritical carbon dioxide.
PubMed:In vitro effect of valepotriates isolated from Valeriana glechomifolia on rat P-type ATPases.
PubMed:[Study on quality specification of Rhizoma et Radix Valeriana Jatamansi].
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:Iridoids from the rhizomes and roots of Valeriana jatamansi.
PubMed:Quantitative determination of valepotriates from Valeriana native to South Brazil.
PubMed:Cytotoxic potential of valerian constituents and valerian tinctures.
PubMed:Effect of valepotriates on the behavior of rats in the elevated plus-maze during diazepam withdrawal.
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:The Structure of New Valepotriates from Tissue Cultures of Valeriana wallichii.
PubMed:Valepotriate content in different in vitro cultures of Valerianaceae and characterization of Valeriana officinalis L. callus during a growth period.
PubMed:HPCL Separation and quantitative determination of valepotriates from Valeriana kilimandascharica.
PubMed:Mass spectrometry of valepotriates.
 
Notes:
Prod. by Valeriana spp.
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