Isomangiferolic acid

Base Information

• Chemical Name: Isomangiferolic acid
• CAS No.: 13878-92-7
• Molecular Formula: C₃₀H₄₈O₃
• Molecular Weight: 456.709
• ChEMBL ID: CHEMBL558710
• DSSTox Substance ID: DTXSID201315244
• Metabolomics Workbench ID: 142738
• Nikkaji Number: J2.929.118G,J3.540.315I
• Wikidata: Q104972313
• Mol file: 13878-92-7.mol

Synonyms:Isomangiferolic acid;13878-92-7;CHEMBL558710;DTXSID201315244;AKOS040761900;FS-9429;9,19-Cyclolanost-24-en-26-oic acid, 3-hydroxy-, (3alpha,24E)-

Chemical Property of Isomangiferolic acid

Chemical Property:

• PSA: 57.53000
• LogP: 7.23360
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 456.36034539
• Heavy Atom Count: 33
• Complexity: 859

Purity/Quality:

98%Min ^*data from raw suppliers

Isomangiferolicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
• Isomeric SMILES: C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@H](C5(C)C)O)C)C

Technology Process of Isomangiferolic acid

There total 7 articles about Isomangiferolic acid 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:

3-Ethyl-acetoxymangiferolat (64354-53-6) → mangiferolic acid (13878-92-7,55511-17-6,55538-29-9,4184-34-3)

Guidance literature:

With potassium hydroxide; In ethanol; Heating;

DOI:10.1016/0040-4020(77)80199-3

Reference yield:

cycloartenol acetate (1259-10-5) → mangiferolic acid (13878-92-7,55511-17-6,55538-29-9,4184-34-3)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) O₃, CHCl₃, (ii) Zn, AcOH

2: benzene / Heating

3: KOH / ethanol / Heating

With potassium hydroxide; In ethanol; benzene;

DOI:10.1016/0040-4020(77)80199-3

Reference yield:

25,26,27-tris-nor-cycloartan-24-oxo-3β-yl acetate (25089-90-1) → mangiferolic acid (13878-92-7,55511-17-6,55538-29-9,4184-34-3)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene / Heating

2: KOH / ethanol / Heating

With potassium hydroxide; In ethanol; benzene;

DOI:10.1016/0040-4020(77)80199-3

upstream raw materials:

cycloart-24-ene-3β,26-diol

3-Ethyl-acetoxymangiferolat

cycloartenol acetate

25,26,27-tris-nor-cycloartan-24-oxo-3β-yl acetate

Downstream raw materials:

mangiferonic acid