Baccharinoid A-1 (busam)

Base Information

• Chemical Name: Baccharinoid A-1 (busam)
• CAS No.: 93633-91-1
• Molecular Formula: C31H42O11
• Molecular Weight: 590.6586
• NSC Number: 375726

Synonyms:BACCHARINOID A-1 (BUSAM);NSC375726;Verrucarin A, 3'-(acetyloxy)-7'-deoxo-2'-deoxy-4'-hydroxy-7'-(1-hydroxyethyl)-;93633-91-1

Chemical Property of Baccharinoid A-1 (busam)

Chemical Property:

• Boiling Point: 790.8°Cat760mmHg
• Flash Point: 253.3°C
• PSA: 150.35000
• Density: 1.32g/cm³
• LogP: 2.07910
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 590.27271215
• Heavy Atom Count: 42
• Complexity: 1190

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C3(CC1)COC(=O)CC(C(COC(C=CC=CC(=O)OC4C3(C5(CO5)C(C4)O2)C)C(C)O)O)(C)OC(=O)C
• Isomeric SMILES: CC1=CC2C3(CC1)COC(=O)CC(C(COC(/C=C/C=C/C(=O)OC4C3(C5(CO5)C(C4)O2)C)C(C)O)O)(C)OC(=O)C

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