Acetylhymenograndin

Base Information

• Chemical Name: Acetylhymenograndin
• CAS No.: 72264-72-3
• Molecular Formula: C₂₁H₂₈O₈
• Molecular Weight: 408.449
• NSC Number: 374721
• DSSTox Substance ID: DTXSID60222589
• Nikkaji Number: J152.455K
• Wikidata: Q83100873
• Mol file: 72264-72-3.mol

Synonyms:Acetylhymenograndin;72264-72-3;NSC374721;HYMENOGRANDIN, ACETYL;DTXSID60222589;NSC 374721;NSC-374721;5,6,7-Tris(acetyloxy)decahydro-4a,8-dimethyl-3-methyleneazuleno(6,5-b)furan-2(3H)-one (3aR-(3aalpha,4abeta,5beta,6alpha,7alpha,7aalpha,8alpha,9aalpha))-;Azuleno(6,5-b)furan-2(3H)-one, 5,6,7-tris(acetyloxy)decahydro-4a,8-dimethyl-3-methylene-, (3aR-(3aalpha,4abeta,5beta,6alpha,7alpha,7aalpha,8alpha,9aalpha))-

Chemical Property of Acetylhymenograndin

Chemical Property:

• Vapor Pressure: 7.29E-10mmHg at 25°C
• Boiling Point: 493°Cat760mmHg
• Flash Point: 212.7°C
• PSA: 105.20000
• Density: 1.24g/cm³
• LogP: 1.94530
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 408.17841785
• Heavy Atom Count: 29
• Complexity: 758

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C(CC3(C1C(C(C3OC(=O)C)OC(=O)C)OC(=O)C)C)C(=C)C(=O)O2
• Isomeric SMILES: C[C@@H]1C[C@@H]2[C@H](C[C@]3([C@H]1[C@H]([C@H]([C@@H]3OC(=O)C)OC(=O)C)OC(=O)C)C)C(=C)C(=O)O2