6-{2-[3-Hydroxy-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)cyclohex-1-en-1-yl]ethyl}-2,2,5a,7-tetramethyldecahydro-1-benzoxepine-3,7-diol

Base Information

• Chemical Name: 6-{2-[3-Hydroxy-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)cyclohex-1-en-1-yl]ethyl}-2,2,5a,7-tetramethyldecahydro-1-benzoxepine-3,7-diol
• CAS No.: 87978-31-2
• Molecular Formula: C₃₀H₅₂O₄
• Molecular Weight: 476.74
• DSSTox Substance ID: DTXSID90701352
• Nikkaji Number: J184.484I
• Wikidata: Q82632964
• Mol file: 87978-31-2.mol

Synonyms:87978-31-2;Siphonellinol;DTXSID90701352;6-{2-[3-Hydroxy-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)cyclohex-1-en-1-yl]ethyl}-2,2,5a,7-tetramethyldecahydro-1-benzoxepine-3,7-diol;Decahydro-6-[2-[3-hydroxy-2,6-dimethyl-6-(4-methyl-3-pentenyl)-1-cyclohexen-1-yl]ethyl]-2,2,5a,7-tetramethyl-1-benzoxepine-3,7-diol

Chemical Property of 6-{2-[3-Hydroxy-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)cyclohex-1-en-1-yl]ethyl}-2,2,5a,7-tetramethyldecahydro-1-benzoxepine-3,7-diol

Chemical Property:

• Boiling Point: 580.0±50.0 °C(Predicted)
• PKA: 14.61±0.70(Predicted)
• PSA: 69.92000
• Density: 1.004±0.06 g/cm3(Predicted)
• LogP: 6.47630
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 476.38656014
• Heavy Atom Count: 34
• Complexity: 794

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(CCC1O)(C)CCC=C(C)C)CCC2C3(CCC(C(OC3CCC2(C)O)(C)C)O)C