Neoprotoveratrine

Base Information

• Chemical Name: Neoprotoveratrine
• CAS No.: 124-97-0
• Molecular Formula: C41H63 N O15
• Molecular Weight: 810.05
• Metabolomics Workbench ID: 69573
• NSC Number: 7527
• Mol file: 124-97-0.mol

Synonyms:Cryptenamine;Neoprotoveratrin;Protalba;Protoveratrine A;Protoveratrines;Protoverin;Tensatrin;Veralba;Veratetrin

Chemical Property of Neoprotoveratrine

Chemical Property:

• Vapor Pressure: 1.94E-33mmHg at 25°C
• Melting Point: 268-270°C
• Refractive Index: 1.6220 (estimate)
• Boiling Point: 847.9°Cat760mmHg
• PKA: 10.73±0.70(Predicted)
• Flash Point: 466.6°C
• PSA: 239.05000
• Density: 1.39g/cm³
• LogP: 0.51590
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 12
• Exact Mass: 809.41977030
• Heavy Atom Count: 57
• Complexity: 1660

Purity/Quality:

98%min ^*data from raw suppliers

PROTOVERATRINE B 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(C(C6C7(C5(C4)OC6(C(CC7)OC(=O)C(C)(C(C)O)O)O)C)OC(=O)C)OC(=O)C)O)O
• Isomeric SMILES: CC[C@@H](C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)[C@H]4[C@@]1([C@@H]5[C@@H]([C@@H]([C@H]6[C@]7([C@]5(C4)O[C@]6([C@H](CC7)OC(=O)[C@@](C)([C@@H](C)O)O)O)C)OC(=O)C)OC(=O)C)O)O
• Description: Also present in Veratrum album, this closely allied alkaloid may be separated from the preceding base by chromatography. It also yields colourless crystals from EtOH and is laevorotatory with [α]29D&o - 39.8° (pyridine) or - 3.5° (CHCI3). In this case, alkaline hydrolysis gives protoverine, two moles of acetic acid, one mole of (-)-2-methylbutyric acid and one mole of 2: 3-dihydroxy-2- methylbutyric acid. It may be distinguished from protoveratrine A by giving a green colour with H2S04. It also forms a complex with maleic acid having m.p. 222.2°C; [α]29D&o - 27.3°.