alpha-Onocerin

Base Information

• Chemical Name: alpha-Onocerin
• CAS No.: 511-01-3
• Molecular Formula: C30H50 O2
• Molecular Weight: 442.726
• European Community (EC) Number: 208-118-6
• Nikkaji Number: J13.999H
• Wikidata: Q74417331
• Mol file: 511-01-3.mol

Synonyms:alpha-onocerin;alpha-onocerin chloroform hemisolvate

Chemical Property of alpha-Onocerin

Chemical Property:

• Melting Point: 202-203 °C(Solv: chloroform (67-66-3); methanol (67-56-1))
• Boiling Point: 524.3±50.0 °C(Predicted)
• PKA: 14.86±0.70(Predicted)
• PSA: 40.46000
• Density: 1.01±0.1 g/cm3(Predicted)
• LogP: 7.30580
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 442.381080833
• Heavy Atom Count: 32
• Complexity: 699

Purity/Quality:

98%min ^*data from raw suppliers

Alpha-onocerin primary reference standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC(=C)C(C2(CCC1O)C)CCC3C(=C)CCC4C3(CCC(C4(C)C)O)C)C
• Isomeric SMILES: C[C@]12CC[C@@H](C([C@@H]1CCC(=C)[C@@H]2CC[C@H]3C(=C)CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)(C)C)O

Technology Process of alpha-Onocerin

There total 3 articles about alpha-Onocerin 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: 63.0%

C36H66O2Si2 (473720-54-6) → α-onocerin (511-01-3) + C30H50O2

Guidance literature:

C₃₆H₆₆O₂Si₂; With methylaluminum dichloride; In dichloromethane; at -94 ℃; for 0.25h;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 23 ℃; for 1h; Further stages.;

DOI:10.1021/ja027373f

Reference yield: 44.0%

C36H66O2Si2 (473720-63-7) → α-onocerin (511-01-3) + C30H50O2

Guidance literature:

C₃₆H₆₆O₂Si₂; With methylaluminum dichloride; In dichloromethane; at -94 ℃; for 0.25h;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 23 ℃; for 1h; Further stages.;

DOI:10.1021/ja027373f

Reference yield:

→ α-onocerin (511-01-3)

Guidance literature:

Totalsynthese;

DOI:10.1021/ja00904a027

upstream raw materials:

C₃₆H₆₆O₂Si₂

C₃₆H₆₆O₂Si₂

Downstream raw materials:

α-onoceradienedione

onoceranediol-(3β.21α)

14αH-onoceranediol-(3β.21α)

8βH.14αH-onoceranediol-(3β.21α)

Refernces