Benzamide, 4-cyano-N-((5S,5aS,8aR,9R)-5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-

Base Information

• Chemical Name: Benzamide, 4-cyano-N-((5S,5aS,8aR,9R)-5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-
• CAS No.: 117507-78-5
• Molecular Formula: C29H24 N2 O8
• Molecular Weight: 528.5095
• DSSTox Substance ID: DTXSID90151797
• Nikkaji Number: J535.267C
• Wikidata: Q83018346
• ChEMBL ID: CHEMBL31842

Synonyms:117507-78-5;Benzamide, 4-cyano-N-((5S,5aS,8aR,9R)-5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-;CHEMBL31842;DTXSID90151797

Chemical Property of Benzamide, 4-cyano-N-((5S,5aS,8aR,9R)-5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-

Chemical Property:

• Boiling Point: 794.5°Cat760mmHg
• Flash Point: 434.3°C
• Density: 1.49g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 528.15326573
• Heavy Atom Count: 39
• Complexity: 962

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=C(C=C6)C#N
• Isomeric SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=C(C=C6)C#N

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