Niga-ichigoside F1

Base Information

• Chemical Name: Niga-ichigoside F1
• CAS No.: 95262-48-9
• Molecular Formula: C₃₆H₅₈O₁₁
• Molecular Weight: 666.85
• ChEMBL ID: CHEMBL449365
• Metabolomics Workbench ID: 134724
• Nikkaji Number: J505.916J
• Wikidata: Q27136391
• Mol file: 95262-48-9.mol

Synonyms:niga-ichigoside F1

Chemical Property of Niga-ichigoside F1

Chemical Property:

• PSA: 197.37000
• LogP: 1.40610
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 666.39791266
• Heavy Atom Count: 47
• Complexity: 1280

Purity/Quality:

99% ^*data from raw suppliers

Niga-ichigoside F1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O
• Isomeric SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

Technology Process of Niga-ichigoside F1

There total 1 articles about Niga-ichigoside F1 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-O-Galloyl-2α,3β,19α,23-tetrahydroxy-12-ursen-28-carbonsaeure-28-β-D-glucopyranosylester → 3,4,5-trihydroxybenzoic acid (149-91-7) + 23-hydroxytormentic acid (89786-84-5,105706-08-9,70868-78-9) + nigaichigoside F1 (87340-30-5,95262-49-0,105706-14-7,95262-48-9)

Guidance literature:

With sodium hydroxide; for 2h; Ambient temperature;

DOI:10.1002/ardp.19933260906

Reference yield:

nigaichigoside F1 (87340-30-5,95262-49-0,105706-14-7,95262-48-9) → 23-hydroxytormentic acid (89786-84-5,105706-08-9,70868-78-9)

Guidance literature:

With potassium hydroxide; for 2h;

DOI:10.1016/S0031-9422(00)80818-3

Reference yield:

4-epi-Niga-ichigoside F1 (87340-30-5,95262-48-9,95262-49-0,105706-14-7) → Hyptatic acid B (70868-78-9,89786-84-5,105706-08-9)

Guidance literature:

at 37 ℃; for 96h; pectinase, pH 5.6 (acetate buffer);

DOI:10.1016/0031-9422(92)83747-M

Downstream raw materials:

23-hydroxytormentic acid

Hyptatic acid B

Refernces