4,7,14,16,20-Pentahydroxy-15-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-3-yl 2-hydroxy-2-methylbutanoate

Base Information

• Chemical Name: 4,7,14,16,20-Pentahydroxy-15-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-3-yl 2-hydroxy-2-methylbutanoate
• CAS No.: 508-67-8
• Molecular Formula: C₃₇H₅₉NO₁₁
• Molecular Weight: 693.876
• DSSTox Substance ID: DTXSID90965033
• Mol file: 508-67-8.mol

Synonyms:germerine

Chemical Property of 4,7,14,16,20-Pentahydroxy-15-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-3-yl 2-hydroxy-2-methylbutanoate

Chemical Property:

• Vapor Pressure: 1.32E-28mmHg at 25°C
• Boiling Point: 786.8°Cat760mmHg
• Flash Point: 429.6°C
• PSA: 186.45000
• Density: 1.35g/cm³
• LogP: 1.43270
• XLogP3: 2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 693.40881170
• Heavy Atom Count: 49
• Complexity: 1370

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(CC6C7(C5(C4)OC6(C(CC7)OC(=O)C(C)(CC)O)O)C)O)O)O
• Isomeric SMILES: CCC(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]4C1([C@@H]5[C@@H](CC6[C@]7(C5(C4)O[C@@]6([C@H](CC7)OC(=O)C(C)(CC)O)O)C)O)O)O

Technology Process of 4,7,14,16,20-Pentahydroxy-15-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-3-yl 2-hydroxy-2-methylbutanoate

There total 2 articles about 4,7,14,16,20-Pentahydroxy-15-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-3-yl 2-hydroxy-2-methylbutanoate 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:

→ germerine (508-67-8)

Guidance literature:

With methanol;

DOI:10.1021/ja01166a080

Reference yield:

→ germerine (508-67-8)

Guidance literature:

beim Chromatographieren an mit Essigsaeure gewaschenem Aluminiumoxid;

DOI:10.1021/ja01166a080

Reference yield:

germerine (508-67-8) → (R)-2-methylbutyric acid (32231-50-8) + (S)-2-hydroxy-2-methylbutyric acid (37505-07-0) + germine (508-65-6)

Guidance literature:

DOI:10.1021/ja01166a080 DOI:10.1002/ardp.19372750603

Downstream raw materials:

(R)-2-methylbutyric acid

(S)-2-hydroxy-2-methylbutyric acid

germine