CID 3086364

Base Information

• Chemical Name: CID 3086364
• CAS No.: 93398-33-5
• Molecular Formula: C35H44O14
• Molecular Weight: 688.7155
• DSSTox Substance ID: DTXSID10918465

Synonyms:Tr-B;93398-33-5;DTXSID10918465;6-[4-(Acetyloxy)-5,9a-dimethyl-2,7-dioxooctahydro-2H-pyrano[3,4-b]oxepin-5-yl]-5-(formyloxy)-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxooctahydro-1H-inden-4-yl 2-hydroxy-3-methylpentanoate

Chemical Property of CID 3086364

Chemical Property:

• Vapor Pressure: 7.45E-28mmHg at 25°C
• Boiling Point: 811.8°Cat760mmHg
• Flash Point: 444.8°C
• Density: 1.35g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 11
• Exact Mass: 688.27310607
• Heavy Atom Count: 49
• Complexity: 1410

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(=O)OC1C(C(C(=C)C2(C1(C(CC2=O)C3=COC=C3)C)O)C4(C5CC(=O)OCC5(OC(=O)CC4OC(=O)C)C)C)OC=O)O
• Isomeric SMILES: CCC(C)C(C(=O)O[C@H]1[C@@H]([C@@H](C(=C)[C@@]2([C@@]1([C@@H](CC2=O)C3=COC=C3)C)O)[C@@]4([C@H]5CC(=O)OC[C@]5(OC(=O)C[C@@H]4OC(=O)C)C)C)OC=O)O

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Get Best Price for 93398-33-5 (3R,3aR,4R,5R,6R,7aS)-6-[(4S,5R,5aR,9aS)-4-(acetyloxy)-5,9a-dimethyl-2,7-dioxooctahydro-2H-pyrano[3,4-b]oxepin-5-yl]-5-(formyloxy)-3-furan-3-yl-7a-hydroxy-3a-methyl-7-methylidene-1-oxooctahydro-1H-inden-4-yl 2-hydroxy-3-methylpentanoate

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