3-Acetylcassaine hydrochloride

Base Information

• Chemical Name: 3-Acetylcassaine hydrochloride
• CAS No.: 59426-18-5
• Molecular Formula: C26H42ClNO5
• Molecular Weight: 484.0684
• Mol file: 59426-18-5.mol

Synonyms:3-Acetylcassaine hydrochloride;Acetic acid, (7-(acetyloxy)dodecahydro-1,4b,8,8-tetramethyl-10-oxo-2(1H)- phenanthrenylidene)-, 2-(dimethylamino)ethyl ester, hydrochloride, (1R-(1-alpha,2E,4a-alpha,4b-beta,7-beta,8a-alpha,10a-beta))-;59426-18-5;C26H41NO5.ClH;C26-H41-N-O5.Cl-H

Chemical Property of 3-Acetylcassaine hydrochloride

Chemical Property:

• Vapor Pressure: 3.02E-11mmHg at 25°C
• Boiling Point: 528.3°C at 760 mmHg
• Flash Point: 273.3°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 483.2751511
• Heavy Atom Count: 33
• Complexity: 785

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCC(C(C3CC2=O)(C)C)OC(=O)C)C.Cl
• Isomeric SMILES: CC\1C2C(CC/C1=C\C(=O)OCCN(C)C)C3(CCC(C(C3CC2=O)(C)C)OC(=O)C)C.Cl