6-O-Methylcerevisterol

Base Information

• Chemical Name: 6-O-Methylcerevisterol
• CAS No.: 126060-09-1
• Molecular Formula: C29H48O3
• Molecular Weight: 444.69
• DSSTox Substance ID: DTXSID601045592
• Metabolomics Workbench ID: 200319
• Nikkaji Number: J1.033.927H,J2.701.466F
• Wikidata: Q105015591
• Wikipedia: Blazein
• Mol file: 126060-09-1.mol

Synonyms:blazein

Chemical Property of 6-O-Methylcerevisterol

Chemical Property:

• Melting Point: 175 °C
• Boiling Point: 539.4±50.0 °C(Predicted)
• PKA: 13.81±0.70(Predicted)
• PSA: 49.69000
• Density: 1.05±0.1 g/cm3(Predicted)
• LogP: 6.15050
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 444.36034539
• Heavy Atom Count: 32
• Complexity: 756

Purity/Quality:

98%Min ^*data from raw suppliers

6-O-Methylcerevisterol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC(C4(C3(CCC(C4)O)C)O)OC)C
• Isomeric SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)OC)C