Subhirsine

Base Information

• Chemical Name: Subhirsine
• CAS No.: 85412-77-7
• Molecular Formula: C₃₃H₄₀N₂O₉
• Molecular Weight: 608.689
• DSSTox Substance ID: DTXSID401345762
• Wikidata: Q105124137

Synonyms:Subhirsine;85412-77-7;DTXSID401345762;AKOS030502228;AKOS037623527

Chemical Property of Subhirsine

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 608.27338086
• Heavy Atom Count: 44
• Complexity: 937

Purity/Quality:

95 % (HPLC). ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)OC2CC3CCC(C2)N3C(=O)N4C5CCC4CC(C5)OC(=O)C6=CC(=C(C=C6)OC)OC)OC
• Isomeric SMILES: COC1=C(C=C(C=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3C(=O)N4[C@@H]5CC[C@H]4CC(C5)OC(=O)C6=CC(=C(C=C6)OC)OC)OC

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