(22E)-5alpha-Stigmasta-2,22-dien-6-one

Base Information

• Chemical Name: (22E)-5alpha-Stigmasta-2,22-dien-6-one
• CAS No.: 74174-45-1
• Molecular Formula: C₂₉H₄₆O
• Molecular Weight: 410.684
• DSSTox Substance ID: DTXSID201298428
• Nikkaji Number: J592.753F,J849.384G
• Mol file: 74174-45-1.mol

Synonyms:(22E)-5alpha-Stigmasta-2,22-dien-6-one;SCHEMBL8395291;DTXSID201298428;5alpha-Stigmasta-2,22-dien-6-one;(5alpha,22E)-Stigmasta-2,22-dien-6-one;74174-45-1

Chemical Property of (22E)-5alpha-Stigmasta-2,22-dien-6-one

Chemical Property:

• XLogP3: 8.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 410.354866087
• Heavy Atom Count: 30
• Complexity: 701

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C=CC(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CC=CC4)C)C)C(C)C
• Isomeric SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC=CC4)C)C)C(C)C