(+)-Lithospermic acid
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(+)-Lithospermic acid
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CAS No:
28831-65-4
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Formula:
C27H22O12
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Chemical Name:
(+)-Lithospermic acid
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Synonyms:
3-Benzofurancarboxylic acid,4-[(1E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-,(2S,3S)-;Lithospermic acid;3-Benzofurancarboxylic acid,4-[(1E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-,(2S,3S)-;(2S,3S)-4-[(1E)-3-[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid;Lithospermic acid A;(+)-Lithospermic acid;11075-67-5;54814-35-6
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CAS No:
Description
Lithospermic acid ((+)-Lithospermic acid) is a plant-derived polycyclic phenolic carboxylic acid isolated from Salvia miltiorrhiza, and has the anti-oxidative and hepatoprotective activity on carbon tetrachloride (CCl4)-induced acute liver damage in vitro and in vivo[1].
Characteristics
211.28000
2.76880
1.6±0.1 g/cm3
183-188 °C
862.6°C at 760 mmHg
291.3±27.8 °C
1.745
9.83E-32mmHg at 25°C
Drug Information
4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid
Computed Properties
Molecular Weight:538.5
XLogP3:2.8
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:538.11112613
Monoisotopic Mass:538.11112613
Topological Polar Surface Area:211
Heavy Atom Count:39
Complexity:922
Defined Atom Stereocenter Count:3
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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