(1R,3S,4R,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexane-1,3-diol

Base Information

• Chemical Name: (1R,3S,4R,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexane-1,3-diol
• CAS No.: 65878-49-1
• Molecular Formula: C27H46O3
• Molecular Weight: 418.6523
• Mol file: 65878-49-1.mol

Synonyms:1,25-dihydroxydihydrotachysterol(3);1alpha,25-(OH)2DHT(3);1beta,25-(OH)2DHT(3);T3-Ha;T3-Hb

Chemical Property of (1R,3S,4R,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexane-1,3-diol

Chemical Property:

• Vapor Pressure: 9.19E-15mmHg at 25°C
• Boiling Point: 557.7°Cat760mmHg
• PKA: 14.65±0.60(Predicted)
• Flash Point: 233.7°C
• PSA: 60.69000
• Density: 1.099g/cm³
• LogP: 5.78460
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 418.34469533
• Heavy Atom Count: 30
• Complexity: 649

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(CC(CC1=CC=C2CCCC3(C2CCC3C(C)CCCC(C)(C)O)C)O)O
• Isomeric SMILES: C[C@H]\1[C@H](C[C@@H](C/C1=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)O)O