Rubijervine acetate

Base Information

• Chemical Name: Rubijervine acetate
• CAS No.: 72361-01-4
• Molecular Formula: C29H47NO4
• Molecular Weight: 473.6878
• UNII: T7550W2KIA
• DSSTox Substance ID: DTXSID70993152
• Wikidata: Q27289757

Synonyms:Rubijervine acetate;UNII-T7550W2KIA;T7550W2KIA;72361-01-4;Solanid-5-ene-3-beta,12-alpha-diol, acetate;Solanid-5-ene-3,12-diol, (3.beta.,12.alpha.)-, acetate (salt);DTXSID70993152;C27H43NO2.C2H3O2;C27-H43-N-O2.C2-H3-O2;LS-145584;Acetic acid--solanid-5-ene-3,12-diol (1/1);Q27289757

Chemical Property of Rubijervine acetate

Chemical Property:

• Vapor Pressure: 8.94E-14mmHg at 25°C
• Boiling Point: 537.1°Cat760mmHg
• Flash Point: 251.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 473.35050898
• Heavy Atom Count: 34
• Complexity: 780

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(C(CC5C4CC=C6C5(CCC(C6)O)C)O)C)C.CC(=O)O
• Isomeric SMILES: C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3([C@H](C[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)O)C)C.CC(=O)O

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