Linimacrin e

Base Information

• Chemical Name: Linimacrin e
• CAS No.: 82535-39-5
• Molecular Formula: C36H50O8
• Molecular Weight: 610.7774
• DSSTox Substance ID: DTXSID901002767

Synonyms:Linimacrin e;82535-39-5;16aH-1,6:2,6-Diepoxybenz(7,8)oxireno(5,6)azuleno(8,1-bc)oxacyclotridecin-16,16a,17-triol, eicosahydro-17a-(hydroxymethyl)-4,14,15-trimethyl-2-(1-methylethenyl)-, 16-benzoate, (1R,2R,4R,4aR,6S,14S,14aR,15S,16S,16aS,16bR,17S,17aR,18aS,18bS)-;DTXSID901002767;13a-(Hydroxymethyl)-10,11,18-trimethyl-12-phenoxy-16-(prop-1-en-2-yl)icosahydro-12aH-2,15:2,16-diepoxybenzo[7,8]oxireno[5,6]azuleno[8,1-bc]oxacyclotridecine-12a,13-diol

Chemical Property of Linimacrin e

Chemical Property:

• Boiling Point: 725.2°Cat760mmHg
• Flash Point: 392.4°C
• Density: 1.29g/cm³
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 610.35056855
• Heavy Atom Count: 44
• Complexity: 1160

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCCCCC23OC4C5C6C(O6)(C(C7(C(C1C(C7OC8=CC=CC=C8)C)C5(O2)C(CC4(O3)C(=C)C)C)O)O)CO
• Isomeric SMILES: C[C@@H]1CCCCCCC[C@]23OC4[C@@H]5[C@H]6[C@](O6)([C@H]([C@]7([C@@H]([C@@H]1[C@@H]([C@@H]7OC8=CC=CC=C8)C)[C@@]5(O2)[C@@H](C[C@@]4(O3)C(=C)C)C)O)O)CO

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