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Rosmarinic Acid
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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

For Research Use Only. Not for use in diagnostic or therapeutic procedures.