15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.0^{2,4}.0^{5,10}.0^{14,18}]octadec-7-en-9-one

Base Information

• Chemical Name: 15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.0^{2,4}.0^{5,10}.0^{14,18}]octadec-7-en-9-one
• CAS No.: 32911-62-9
• Molecular Formula: C28H38 O6
• Molecular Weight: 470.6
• Hs Code.: 2932206000
• Wikidata: Q104991228
• Mol file: 32911-62-9.mol

Synonyms:(+)-Withanolide A;15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.0^{2,4}.0^{5,10}.0^{14,18}]octadec-7-en-9-one;LMST01160019;NS00018019;6,7-Epoxy-5,20-dihydroxy-1-oxowitha-2,24-dienolide

Chemical Property of 15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.0^{2,4}.0^{5,10}.0^{14,18}]octadec-7-en-9-one

Chemical Property:

• Melting Point: 305℃ (DEC.)
• Boiling Point: 651.6±55.0 °C(Predicted)
• PKA: 13.05±0.70(Predicted)
• PSA: 96.36000
• Density: 1.264
• LogP: 3.49540
• Storage Temp.: ?20°C
• Solubility.: methanol: soluble1mg/mL, clear, colorless
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 470.26683893
• Heavy Atom Count: 34
• Complexity: 1030

Purity/Quality:

98%Min ^*data from raw suppliers

Withanolide A ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C(=O)OC(C1)C(C)(C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)O)C
• Uses: Withanolide A, is a neuritogenic steroid. It may act as deterrent for feeding insect larva and other herbivores. Withaferin A, causes activation of Notch2 and Notch4 in human breast cancer cells, and thus used as novel anticancer agents.