Rosmarinic acid

Compound Structure:

Synonyms:

rosmarinic acid; 20283-92-5; Rosemary acid ;Labiatenic acid; Rosmarinicacid

Compound ID:

NMPC-1454

PubChem ID:

5281792

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

InChIKey:

DOUMFZQKYFQNTF-WUTVXBCWSA-N

About the compound:

Rosmarinic acid, named after rosemary (Salvia rosmarinusSpenn.), is a polyphenol constituent of many culinary herbs, including rosemary (Salvia rosmarinus L.), perilla (Perillafrutescens L.), sage (Salvia officinalis L.), mint (Menthaarvense L.), and basil (Ocimumbasilicum L.).

GHS Hazard Statements

• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

• H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	360.3 g/mol
XLogP3-AA	2.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	360.08451746 g/mol
Monoisotopic Mass	360.08451746 g/mol
Topological Polar Surface Area	145Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	519
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Solid
Melting Point	171-175 °C
Solubility	Soluble in ethanol, DMSO or dimethyl formamide to approximately 25 mg/mL

Source: PubChem

Source Species:

Solenostemon monostachyus
Talinum triangulare

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