11-epi-Sinulariolide

Base Information

• Chemical Name: 11-epi-Sinulariolide
• CAS No.: 88643-48-5
• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.456
• Nikkaji Number: J1.002.139A
• Wikidata: Q104998858
• Metabolomics Workbench ID: 168129
• Mol file: 88643-48-5.mol

Synonyms:11-epi-sinulariolide;sinulariolide

Chemical Property of 11-epi-Sinulariolide

Chemical Property:

• Vapor Pressure: 1.12E-11mmHg at 25°C
• Boiling Point: 490.5°C at 760 mmHg
• Flash Point: 169.3°C
• PSA: 59.06000
• Density: 1.11g/cm³
• LogP: 3.68330
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 334.21440943
• Heavy Atom Count: 24
• Complexity: 566

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCC2(C(O2)CC3CCC(C(CC1)O)(OC(=O)C3=C)C)C
• Isomeric SMILES: C/C/1=C\CC[C@]2([C@@H](O2)C[C@H]3CC[C@]([C@@H](CC1)O)(OC(=O)C3=C)C)C