6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate

Base Information

• Chemical Name: 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate
• CAS No.: 56662-60-3
• Molecular Formula: C25H40O9
• Molecular Weight: 484.5797
• DSSTox Substance ID: DTXSID90972106

Synonyms:6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate;DTXSID90972106;[(2S,4R,8S,9R,14R)-3-Acetyloxy-2,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] propanoate

Chemical Property of 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate

Chemical Property:

• Vapor Pressure: 8.14E-17mmHg at 25°C
• Boiling Point: 598.4°Cat760mmHg
• Flash Point: 194°C
• Density: 1.33g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 484.26723285
• Heavy Atom Count: 34
• Complexity: 874

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OC1C2CCC3C1(CC2(C)O)C(C(C4(C(C3(C)O)CC(C4(C)C)O)O)OC(=O)C)O
• Isomeric SMILES: CCC(=O)OC1C2CCC3C1(C[C@@]2(C)O)[C@@H](C([C@]4([C@H]([C@]3(C)O)CC(C4(C)C)O)O)OC(=O)C)O

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