Sarmentoside A monoacetate

Base Information

• Chemical Name: Sarmentoside A monoacetate
• CAS No.: 63980-39-2
• Molecular Formula: C31H44O12
• Molecular Weight: 608.6739
• DSSTox Substance ID: DTXSID10981578

Synonyms:Sarmentoside A monoacetate;63980-39-2;DTXSID10981578;14-(Acetyloxy)-3-[(6-deoxyhexopyranosyl)oxy]-5,11-dihydroxy-19-oxocard-20(22)-enolide;Card-20(22)-enolide, 3-[(6-deoxy-.alpha.-L-talopyranosyl)oxy]-5,11,14-trihydroxy-19-oxo-, monoacetate, (3.beta.,5.beta.,11.alpha.)-

Chemical Property of Sarmentoside A monoacetate

Chemical Property:

• Vapor Pressure: 1.03E-28mmHg at 25°C
• Boiling Point: 788.2°Cat760mmHg
• Flash Point: 251.8°C
• Density: 1.43g/cm³
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 608.28327683
• Heavy Atom Count: 43
• Complexity: 1190

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)OC(=O)C)C=O)O)O)O
• Isomeric SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)C5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)OC(=O)C)C=O)O)O)O

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