Veracevine

Base Information

• Chemical Name: Veracevine
• CAS No.: 5876-23-3
• Molecular Formula: C₂₇H₄₃NO₈
• Molecular Weight: 509.64
• UNII: U3QTV3Z77R
• DSSTox Substance ID: DTXSID501027212
• Wikipedia: Veracevine
• Wikidata: Q7920853
• Metabolomics Workbench ID: 53510
• ChEMBL ID: CHEMBL2023796
• Mol file: 5876-23-3.mol

Synonyms:Veracevine;Protocevine;Veracevin;Protocevin;5876-23-3;UNII-U3QTV3Z77R;Cevane-3-beta,4-beta,12,14,16-beta,17,20-heptol, 4,9-epoxy-;U3QTV3Z77R;CHEBI:9947;4,9-epoxycevane-3beta,4beta,12,14,16beta,17,20-heptol;trimethyl[?]heptol;4alpha,9-epoxycevane-3beta,4beta,12,14,16beta,17,20-heptol;NSC 127570;Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, (3.beta.,4.alpha.,16.beta.)-;(1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-1,10,11,12,14,22,23-heptol;4,9-Epoxycevane-3-beta,4-beta,12,14,16-beta,17,20-heptol;NSC127570;NSC-127570;Cevane-3beta,4beta,12,14,16beta,17,20-heptol, 4,9-epoxy-;SCHEMBL3745394;Cevane-3.beta.,4.beta.,12,14,16.beta.,17,20-heptol, 4,9-epoxy-;CHEMBL2023796;DTXSID501027212;Q7920853;CEVANE-3,4,12,14,16,17,20-HEPTOL, 4,9-EPOXY-, (3.BETA.,4.ALPHA.,16.BETA.)-)

Chemical Property of Veracevine

Chemical Property:

• Vapor Pressure: 3.01E-22mmHg at 25°C
• Melting Point: 181-183 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: 693.5°Cat760mmHg
• PKA: 12.10±0.70(Predicted)
• Flash Point: 373.2°C
• PSA: 154.08000
• Density: 1.5g/cm³
• LogP: -0.58800
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 0
• Exact Mass: 509.29886733
• Heavy Atom Count: 36
• Complexity: 999

Purity/Quality:

99%min ^*data from raw suppliers

VERACEVINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C(C3(C(CC4(C5CCC6C7(C5(CC4(C3CN2C1)O)OC6(C(CC7)O)O)C)O)O)O)(C)O
• Isomeric SMILES: C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4([C@@H]5CC[C@H]6[C@]7([C@]5(C[C@]4([C@@H]3CN2C1)O)O[C@@]6([C@H](CC7)O)O)C)O)O)O)(C)O
• Description: This steroidal alkaloid, isolated from species of Schoenocaulon, is epimeric with Cevine (q.v.). In highly concentrated solutions, the base exhibits a positive Cotton effect and it has been shown that ring A exists in a twist form. In ethanol solution, the alkaloid exists in the ketol form to the extent of 0.4-0.6 per cent.

Technology Process of Veracevine

There total 6 articles about Veracevine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ Protocevine (124-98-1,5876-23-3)

Guidance literature:

With sodium hydroxide; at 0 ℃;

DOI:10.1021/ja01109a060

Reference yield:

veratrine (62-59-9) → Protocevine (124-98-1,5876-23-3)

Guidance literature:

With sodium hydroxide; at 0 ℃;

DOI:10.1021/ja01109a060

Reference yield:

→ Protocevine (124-98-1,5876-23-3)

Guidance literature:

With methanol;

DOI:10.1021/ja01118a017

upstream raw materials:

veratrine

Downstream raw materials:

Cevin