(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

Base Information

• Chemical Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
• CAS No.: 80463-19-0
• Molecular Formula: C27H42O2
• Molecular Weight: 398.6212
• Mol file: 80463-19-0.mol

Synonyms:23-dehydro-25-hydroxyvitamin D3

Chemical Property of (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

Chemical Property:

• Vapor Pressure: 1.51E-13mmHg at 25°C
• Boiling Point: 532.2°Cat760mmHg
• Flash Point: 224°C
• PSA: 40.46000
• Density: 1.02g/cm³
• LogP: 6.50990
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 398.318480578
• Heavy Atom Count: 29
• Complexity: 695

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC=CC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
• Isomeric SMILES: C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C