Dircin

Base Information

• Chemical Name: Dircin
• CAS No.: 88497-93-2
• Molecular Formula: C39H52 O11
• Molecular Weight: 696.8236
• DSSTox Substance ID: DTXSID301008193
• Wikidata: Q83004575

Synonyms:Dircin;88497-93-2;DTXSID301008193;3-(Acetyloxy)-12a,13-dihydroxy-13a-(hydroxymethyl)-10,11,18-trimethyl-16-(prop-1-en-2-yl)icosahydro-3H-2,15:2,16-diepoxybenzo[7,8]oxireno[5,6]azuleno[8,1-bc]oxacyclotridecin-12-yl benzoate

Chemical Property of Dircin

Chemical Property:

• Vapor Pressure: 2.12E-25mmHg at 25°C
• Boiling Point: 776.8°Cat760mmHg
• Flash Point: 234.8°C
• Density: 1.34g/cm³
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 696.35096247
• Heavy Atom Count: 50
• Complexity: 1400

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MSDS Files:

Useful:

• Canonical SMILES: CC1CCCCCCC(C23OC4C5C6C(O6)(C(C7(C(C1C(C7OC(=O)C8=CC=CC=C8)C)C5(O2)C(CC4(O3)C(=C)C)C)O)O)CO)OC(=O)C
• Isomeric SMILES: C[C@H]1CCCCCC[C@H]([C@]23O[C@@H]4[C@@H]5[C@H]6[C@](O6)([C@H]([C@]7([C@@H]([C@@H]1[C@@H]([C@@H]7OC(=O)C8=CC=CC=C8)C)[C@@]5(O2)[C@@H](C[C@@]4(O3)C(=C)C)C)O)O)CO)OC(=O)C

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