Valtrate

Base Information

• Chemical Name: Valtrate
• CAS No.: 18296-44-1
• Molecular Formula: C22H30 O8
• Molecular Weight: 422.475
• Hs Code.: 29329990
• European Community (EC) Number: 242-174-2
• UNII: L3JQ035X9B
• DSSTox Substance ID: DTXSID501031053
• Nikkaji Number: J14.326J
• Wikidata: Q27108520
• NCI Thesaurus Code: C152823
• Metabolomics Workbench ID: 28067
• ChEMBL ID: CHEMBL402061
• Mol file: 18296-44-1.mol

Synonyms:Baldrisedon;valtrate

Chemical Property of Valtrate

Chemical Property:

• Vapor Pressure: 3.75E-11mmHg at 25°C
• Boiling Point: 525.9°Cat760mmHg
• Flash Point: 226.5°C
• PSA: 100.66000
• Density: 1.22g/cm³
• LogP: 2.66210
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly, Sonicated), Methanol (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 422.19406791
• Heavy Atom Count: 30
• Complexity: 765

Purity/Quality:

98% ^*data from raw suppliers

Valtrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison.
• Hazard Codes: A poison.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=O)OC1C=C2C(C13CO3)C(OC=C2COC(=O)C)OC(=O)CC(C)C
• Isomeric SMILES: CC(C)CC(=O)O[C@H]1C=C2[C@@H]([C@@]13CO3)[C@@H](OC=C2COC(=O)C)OC(=O)CC(C)C
• Uses: Valtrate is a Rev-transport inhibitor with anti-HIV activity from Valerianae Radix.