Linimacrins d

Base Information

• Chemical Name: Linimacrins d
• CAS No.: 78518-72-6
• Molecular Formula: C39H52O11
• Molecular Weight: 696.8236
• Wikidata: Q110188168
• Mol file: 78518-72-6.mol

Synonyms:linimacrin d;Linimacrins d;16aH-1,6:2,6-Diepoxybenz(7,8)oxireno(5,6)azuleno(8,1-bc)oxacyclotridecin-16,16a,17-triol, 3-(acetyloxy)eicosahydro-17a-(hydroxymethyl)-4,14,15-trimethyl-2-(1-methylethenyl)-, 16-benzoate, (1R,2R,3R,4R,4aR,6S,7R,14R,14aS,15S,16S,16aS,16bR,17S,17aR,18aS,18bS)-;78518-72-6;Linimacrins c;C39H52O11;C39-H52-O11

Chemical Property of Linimacrins d

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.34g/cm³
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 696.35096247
• Heavy Atom Count: 50
• Complexity: 1400

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCCCCCCC23OC4C5C6C(O6)(C(C7(C(C1C(C7OC(=O)C8=CC=CC=C8)C)C5(O2)C(C(C4(O3)C(=C)C)OC(=O)C)C)O)O)CO
• Isomeric SMILES: C[C@@H]1CCCCCCCC23O[C@@H]4[C@@H]5[C@H]6[C@](O6)([C@H]([C@@]7([C@H]([C@H](C1C7[C@@]5(O2)[C@@H]([C@H]([C@@]4(O3)C(=C)C)OC(=O)C)C)C)OC(=O)C8=CC=CC=C8)O)O)CO