ChemicalBook--->CAS DataBase List--->25161-41-5

25161-41-5

25161-41-5 Structure

25161-41-5 Structure
IdentificationBack Directory
[Name]

acevaltrate
[CAS]

25161-41-5
[Synonyms]

acevaltrate
Acevaltratum
Acetovaltrate
Acetoxyvaltrate
(Acetyloxy)valepotriate
[(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
3-Acetyloxy-3-methylbutyric acid [(1S,7R)-4-(acetyloxy)methyl-6,7aα-dihydro-1α-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-6α-yl] ester
3-(Acetyloxy)-3-methylbutanoic acid (1S,2'R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-6-yl ester
Butanoic acid,3-(acetyloxy)-3-methyl-,(1S,2'R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-6-ylester
[EINECS(EC#)]

246-685-1
[Molecular Formula]

C24H32O10
[MDL Number]

MFCD01741123
[MOL File]

25161-41-5.mol
[Molecular Weight]

480.5
Chemical PropertiesBack Directory
[Melting point ]

80-81 °C
[Boiling point ]

538.7±50.0 °C(Predicted)
[density ]

1.26
[storage temp. ]

2-8°C
[solubility ]

DMSO : ≥ 125 mg/mL (260.15 mM)
[form ]

Solid
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H227
[Precautionary statements ]

P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Hazard InformationBack Directory
[Uses]

Acevaltrate inhibits the Na+/K+-ATPase activity in the rat kidney and brain hemispheres with IC50s of 22.8 μM and 42.3 μM, respectively[1].
[Definition]

ChEBI: Acevaltrate is a fatty acid ester.
[References]

[1] Bettero GM, et al. In vitro effect of valepotriates isolated from Valeriana glechomifolia on rat P-type ATPases. Planta Med. 2011 Oct;77(15):1702-6. DOI:10.1055/s-0030-1271084
Spectrum DetailBack Directory
[Spectrum Detail]

acevaltrate(25161-41-5)1HNMR
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