17-Bbehb

Base Information

• Chemical Name: 17-Bbehb
• CAS No.: 134513-16-9
• Molecular Formula: C27H33 Br O4
• Molecular Weight: 501.45
• DSSTox Substance ID: DTXSID30928647
• Mol file: 134513-16-9.mol

Synonyms:17-(4-bromobenzoyloxy)-9 beta,11 beta-epoxy-7 beta-hydroxy-ent-beyerene;17-(4-bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene;17-BBEHB

Chemical Property of 17-Bbehb

Chemical Property:

• Vapor Pressure: 9.45E-15mmHg at 25°C
• Boiling Point: 589.7°C at 760 mmHg
• Flash Point: 310.4°C
• PSA: 59.06000
• Density: 1.41g/cm³
• LogP: 5.67710
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 500.15622
• Heavy Atom Count: 32
• Complexity: 847

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCC2(C1CC(C34C25C(O5)CC(C3)(C=C4)COC(=O)C6=CC=C(C=C6)Br)O)C)C
• Isomeric SMILES: C[C@@]12CCCC([C@H]1C[C@@H](C34[C@@]25[C@@H](O5)C[C@](C3)(C=C4)COC(=O)C6=CC=C(C=C6)Br)O)(C)C