Lithospermic acid

Datasheet MSDS
Catalog Number
ANC00051
Product Name
Lithospermic acid
Structure
Lithospermic acid
CAS Number
28831-65-4
IUPAC Name
(2S,3S)-4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
Synonyms
4-{(E)-2-[1-Carboxy-2-(3,4-dihydroxy-phenyl)-ethoxycarbonyl]-vinyl}-2-(3,4-dihydroxy-phenyl)-7-hydroxy-2,3-dihydro-benzofuran-3-carboxylicacid; Aids071478; Aids-071478; ClinopodicacidH
Molecular Formula
C27H22O12
Molecular Weight
538.46
Appearance
Powder
Purity
>98%
Density
1.642±0.06g/cm3 (Predicted)
Melting Point
183-188°C
Boiling Point
862.6±65.0°C (Predicted)
Storage
Inert atmosphere,2-8°C
Description
Lithospermic acid ((+)-Lithospermic acid) is a plant-derived polycyclic phenolic carboxylic acid isolated from salvia miltiorrhiza and has antioxidant and hepatoprotective activities against CCL4-induced acute and in vitro liver injury.
SMILES
C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3[C@@H]([C@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O
InChI
InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+/t20-,23+,24-/m1/s1
InChI Key
UJZQBMQZMKFSRV-RGKBJLTCSA-N
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