Rosmarinic Acid

Catalog	ACM20283925
CAS	20283-92-5
Structure
Synonyms	Benzenepropanoicacid,α-[[3-(3,4-dihydroxyphen
IUPAC Name	(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
Molecular Weight	360.31
Molecular Formula	C18H16O8
Canonical SMILES	C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
InChI	InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
InChI Key	DOUMFZQKYFQNTF-WUTVXBCWSA-N
Boiling Point	694.7±55.0 °C
Melting Point	171-175 °C (lit.)
Purity	98%
Density	1.33 g/ml
Solubility	Soluble in ethanol, DMSO or dimethyl formamide
Appearance	Yellow powder
Exact Mass	360.08451746
Isomeric SMILES	C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
Monoisotopic Mass	360.08451746
Physical State	Powder
Refractive Index	1.71 (Predicted)
Storage Conditions	2-8 °C
Topological Polar Surface Area	145 Ų