Apocannoside

Base Information

• Chemical Name: Apocannoside
• CAS No.: 3751-87-9
• Molecular Formula: C30H44O8
• Molecular Weight: 532.6656
• Wikidata: Q110185819
• Mol file: 3751-87-9.mol

Synonyms:Aminopocannoside;Apocannosid [German];Apocannosid;Apocannoside;Cannogenin + D-cymarose [German];Cannogenin + D-cymarose;5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3-O-methyl-ribo-hexopyranosyl)oxy)-14-hydroxy-19-oxo-;3751-87-9;Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-D-ribo-hexopyranosyl)oxy]-14-hydroxy-19-oxo-;LS-52403

Chemical Property of Apocannoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 693.1°Cat760mmHg
• Flash Point: 223°C
• Density: 1.27g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 532.30361836
• Heavy Atom Count: 38
• Complexity: 981

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)OC)O
• Isomeric SMILES: CC1[C@H](C(C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C=O)OC)O

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