Acevaltrate
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Acevaltrate
structure -
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CAS No:
25161-41-5
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Formula:
C24H32O10
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Chemical Name:
Acevaltrate
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Synonyms:
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-yl ester;Butanoic acid,3-(acetyloxy)-3-methyl-,4-[(acetyloxy)methyl]-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2′-oxiran]-6-yl ester,[1S-(1α,6α,7β,7aα)]-;Spiro[cyclopenta[c]pyran-7(1H),2′-oxirane],butanoic acid deriv.;Acevaltrate;Acevaltratum;(Acetyloxy)valepotriate;Acetoxyvaltrate;Acetovaltrate;23067-35-8;28325-58-8;30584-21-5;31244-57-2
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CAS No:
Description
Acevaltrate, isolated from Valeriana glechomifolia, inhibits the Na+/K+-ATPase activity in the rat kidney and brain hemispheres with IC50s of 22.8±1.1 μM and 42.3±1.0 μM, respectively[1].
Acevaltrate is a fatty acid ester.
Characteristics
127
1.91
1.3±0.1 g/cm3
80-81 °C
538.7±50.0 °C at 760 mmHg
229.0±30.2 °C
1.531
1.13E-11mmHg at 25°C
Computed Properties
Molecular Weight:480.5
XLogP3:0.9
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:13
Exact Mass:480.19954721
Monoisotopic Mass:480.19954721
Topological Polar Surface Area:127
Heavy Atom Count:34
Complexity:915
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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