Ethyl rosmarinate

CAT: 0804-HY-N10610-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N10610-01Size:1 mg

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Description

Ethyl rosmarinate is a phenolic compound that can be isolated from Lycopus lucidus. Ethyl rosmarinate has antioxidative activity. Ethyl rosmarinate inhibits lung inflammation[1][2].

CAS Number

174591-47-0

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

Others

Type

Natural Products

Related Pathways

Others

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/ethyl-rosmarinate.html

Purity

99.96

Solubility

DMSO : 50 mg/mL (ultrasonic)

Smiles

OC(C=C1/C=C/C(O[C@@H](C(OCC)=O)CC2=CC(O)=C(C=C2)O)=O)=C(C=C1)O

Molecular Formula

C20H20O8

Molecular Weight

388.37

Precautions

H302, H315, H319, H335

References & Citations

[1]Woo ER, et al. Antioxidative constituents from Lycopus lucidus. Arch Pharm Res. 2004 Feb;27 (2) :173-6.|[2]Thammason H, et al. Ethyl rosmarinate inhibits lipopolysaccharide-induced nitric oxide and prostaglandin E2 production in alveolar macrophages. Eur J Pharmacol. 2018 Apr 5;824:17-23.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, protect from light)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Ethyl Rosmarinate

Ethyl rosmarinate has been reported in Agastache rugosa, Glechoma hederacea, and other organisms with data available.

CAS Number	174591-47-0
PubChem CID	44437692
IUPAC Name	ethyl (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoate
Molecular Formula	C20H20O8
Molecular Weight	388.4
XLogP	3.1
Topological Polar Surface Area	134
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Heavy Atom Count	28
Formal Charge	0
Complexity	548

SMILES

CCOC(=O)[C@@H](CC1=CC(=C(C=C1)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C20H20O8/c1-2-27-20(26)18(11-13-4-7-15(22)17(24)10-13)28-19(25)8-5-12-3-6-14(21)16(23)9-12/h3-10,18,21-24H,2,11H2,1H3/b8-5+/t18-/m1/s1

InChIKey

ROJRNQOAUDCMES-KRZKXXONSA-N

Chemical Structure

2D Structure

CAS: 174591-47-0

CID: 44437692

Formula: C20H20O8

MW: 388.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	388.4
XLogP3	3.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	388.11581759
Monoisotopic Mass	388.11581759
Topological Polar Surface Area	134 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	548
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

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