Cavernulin

Base Information

• Chemical Name: Cavernulin
• CAS No.: 90052-70-3
• Molecular Formula: C31H46O10
• Molecular Weight: 578.7
• Mol file: 90052-70-3.mol

Synonyms:Cavernulin;90052-70-3

Chemical Property of Cavernulin

Chemical Property:

• Vapor Pressure: 5.3E-20mmHg at 25°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 578.30909766
• Heavy Atom Count: 41
• Complexity: 1080

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC(=O)OC1CCC(=CC2C(C(C(=O)O2)C)(C(C3C1(C(C(C=C3C)OC(=O)C)OC(=O)CC)C)O)O)C
• Isomeric SMILES: CCCCCC(=O)O[C@H]1CC/C(=C\[C@H]2[C@@]([C@H](C(=O)O2)C)([C@H]([C@@H]3[C@@]1([C@H]([C@@H](C=C3C)OC(=O)C)OC(=O)CC)C)O)O)/C