AG000GYC

115841-09-3 | Benzenepropanoic acid, α-[[(2E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-benzofuranyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (αR)-

AG000GYC

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CAS Number	115841-09-3
Catalog Number	AG000GYC(AGN-PC-0P87E1)
Chemical Name	Benzenepropanoic acid, α-[[(2E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-benzofuranyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (αR)-
IUPAC Name	(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid
InChI	InChI=1S/C26H20O10/c27-17-5-1-13(9-20(17)30)10-23(26(33)34)35-24(32)8-4-14-2-7-19(29)25-16(14)12-22(36-25)15-3-6-18(28)21(31)11-15/h1-9,11-12,23,27-31H,10H2,(H,33,34)/b8-4+/t23-/m1/s1
InChI Key	GCJWPRRNLSHTRY-VURDRKPISA-N
MDL Number	MFCD16660675
Molecular Formula	C26H20O10
Molecular Weight	492.4310
SMILES	O=C(O)[C@H](OC(/C=C/C1=C2C=C(C3=CC=C(O)C(O)=C3)OC2=C(O)C=C1)=O)CC4=CC=C(O)C(O)=C4
Synonyms	salvianolic acid C, Salvianolic acid C, 115841-09-3, Salvianolicacid C, UNII-I16H9Z53ZL, I16H9Z53ZL, C26H20O10, (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-benzofuran-4-yl]prop-2-enoyl]oxy-propanoic acid, Benzenepropanoic acid, alpha-(((2E)-3-(2-(3,4-dihydroxyphenyl)-7-hydroxy-4-benzofuranyl)-1-oxo-2-propen-1-yl)oxy)-3,4-dihydroxy-, (alphaR)-, Salvianolic-acid-C, Benzenepropanoic acid, alpha-[[(2E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-benzofuranyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (alphaR)-, CHEMBL4077922, SCHEMBL19236216, CHEBI:140104, HY-N0319, MFCD16660675, ZINC14690026, AKOS026674262, CS-0008886, X1225, UNII-U5TCN455JO component GCJWPRRNLSHTRY-VURDRKPISA-N, (2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[2-(3,4-dihydroxyphenyl)- 7-hydroxy-1-benzofuran-4-yl]-2-propenoyl}oxy)propanoic acid, ACN-046976, C000597819,

Complexity	802
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Exact Mass	492.106g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	492.436g/mol
Monoisotopic Mass	492.106g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	178A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number