| Identification | Back Directory | [Name]
9'''-MethyllithosperMate B | [CAS]
1167424-31-8 | [Synonyms]
9-methyllithospermate
-Methyl lithospermate B
9'''-MethyllithosperMate B
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-, 3-[(1R)-1-[(3,4-dihydroxyphenyl)methyl]-2-methoxy-2-oxoethyl] ester, (2S,3S)- | [Molecular Formula]
C37H32O16 | [MDL Number]
MFCD29049488 | [MOL File]
1167424-31-8.mol | [Molecular Weight]
732.64 |
| Chemical Properties | Back Directory | [Boiling point ]
992.8±65.0 °C(Predicted) | [density ]
1.578±0.06 g/cm3(Predicted) | [solubility ]
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | [form ]
Powder | [pka]
2.77±0.10(Predicted) | [color ]
Off-white to light yellow | [InChIKey]
REHAMWBRZKUHPN-NQBFDTSGSA-N | [SMILES]
O1C2=C(O)C=CC(/C=C/C(O[C@@H](C(O)=O)CC3=CC=C(O)C(O)=C3)=O)=C2[C@H](C(O[C@H](CC2=CC=C(O)C(O)=C2)C(OC)=O)=O)[C@H]1C1=CC=C(O)C(O)=C1 |
| Hazard Information | Back Directory | [Chemical Properties]
White crystalline powder, soluble in organic solvents such as methanol, ethanol, DMSO, etc., derived from Salvia miltiorrhiza. | [Uses]
9''-Methyl salvianolate B is a phenolic compound isolated from Radix Salvia miltiorrhizae[1]. | [References]
[1] Zeng G, et al. Identification of phenolic constituents in Radix Salvia miltiorrhizae by liquid chromatography/electrospray ionization mass spectrometry. Rapid Commun Mass Spectrom. 2006;20(3):499-506. DOI:10.1002/rcm.2332 |
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