ginsenoside R1

Base Information

• Chemical Name: ginsenoside R1
• CAS No.: 80418-24-2
• Molecular Formula: C47H80O18
• Molecular Weight: 933.141
• Hs Code.: 29389090
• Wikidata: Q105153640
• Mol file: 80418-24-2.mol

Synonyms:ginsenoside R1;BCP14046;LS-15480;Sanchinoside R1;Sanqi glucoside R1;Notoginsenoside-R1;2-[1-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,5-dimethyl-hex-4-enoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

Chemical Property of ginsenoside R1

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 215～217℃
• Refractive Index: 1.614
• Boiling Point: 1010.526 °C at 760 mmHg
• PKA: 12.85±0.70(Predicted)
• Flash Point: 564.946 °C
• PSA: 298.14000
• Density: 1.39 g/cm³
• LogP: -0.41690
• Storage Temp.: 2-8°C
• Solubility.: H2O: soluble1mg/mL, clear, colorless
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 12
• Exact Mass: 932.53446570
• Heavy Atom Count: 65
• Complexity: 1670

Purity/Quality:

80% ^*data from raw suppliers

Notoginsenoside R1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(CO6)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C
• Description: Notoginsenoside R1 is a ginsenoside found in Panax notoginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 6 and 20 have been converted to the corresponding beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside and beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. It is a beta-D-glucoside, a 12beta-hydroxy steroid, a 3beta-hydroxy steroid, a disaccharide derivative, a ginsenoside, a tetracyclic triterpenoid and a 3beta-hydroxy-4,4-dimethylsteroid. It derives from a hydride of a dammarane.
• Uses: Notoginsenoside R1 is an active ingredient isolated from Panax notoginseng that induces tissue-type plasminogen activator synthesis in cultured human umbilical vein endothelial cells. Notoginsenoside R1 acts as an anti-inflammatory agent, inhibiting TNF-α induced PAI-1 production in aortic smooth muscle cells in humans.