12-Hydroxy-5,9,13-trimethyl-16-methylene-4,14-dioxatricyclo(11.3.2.0(3,5))octadec-8-en-15-one

Base Information

• Chemical Name: 12-Hydroxy-5,9,13-trimethyl-16-methylene-4,14-dioxatricyclo(11.3.2.0(3,5))octadec-8-en-15-one
• CAS No.: 56326-25-1
• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.456
• ChEMBL ID: CHEMBL1979790
• Mol file: 56326-25-1.mol

Synonyms:11-epi-sinulariolide;sinulariolide

Chemical Property of 12-Hydroxy-5,9,13-trimethyl-16-methylene-4,14-dioxatricyclo(11.3.2.0(3,5))octadec-8-en-15-one

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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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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/CCC2(C(O2)CC3CCC(C(CC1)O)(OC(=O)C3=C)C)C

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