Oleanolic acid 3-O-beta-D-glucosyl-(1->3)-alpha-L-rhamnosyl(1->2)-alpha-L-arabinoside

Base Information

• Chemical Name: Oleanolic acid 3-O-beta-D-glucosyl-(1->3)-alpha-L-rhamnosyl(1->2)-alpha-L-arabinoside
• CAS No.: 103956-33-8
• Molecular Formula: C47H76O16
• Molecular Weight: 897.1
• Nikkaji Number: J270.910D
• Wikidata: Q105192120
• Metabolomics Workbench ID: 137574
• ChEMBL ID: CHEMBL475806
• Mol file: 103956-33-8.mol

Synonyms:103956-33-8;Oleanolic acid 3-O-beta-D-glucosyl-(1->3)-alpha-L-rhamnosyl(1->2)-alpha-L-arabinoside;(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;CHEMBL475806;OHJWWOZXCKEOGK-YDOLDEOXSA-N;AKOS040760606;(3| cent)-3-[(O-|A-D-glucopyranosyl-(1 inverted exclamation marku3)-O-6-deoxy-|A-L-mannopyranosyl-(1 inverted exclamation marku2)-|A-L-arabinopyranosyl)oxy]olean-12-en-28-oic acid;3beta-[2-O-(3-O-beta-D-Glucopyranosyl-alpha-L-rhamnopyranosyl)-alpha-L-arabinopyranosyloxy]oleana-12-ene-28-oic acid

Chemical Property of Oleanolic acid 3-O-beta-D-glucosyl-(1->3)-alpha-L-rhamnosyl(1->2)-alpha-L-arabinoside

Chemical Property:

• Melting Point: 245-250℃
• PSA: 254.52000
• Density: 1.36±0.1 g/cm3 (20 oC 760 Torr)
• LogP: 2.37290
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 8
• Exact Mass: 896.51333633
• Heavy Atom Count: 63
• Complexity: 1720

Purity/Quality:

95%-98% ^*data from raw suppliers

Oleanolic acid 3-glycosides ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O

Technology Process of Oleanolic acid 3-O-beta-D-glucosyl-(1->3)-alpha-L-rhamnosyl(1->2)-alpha-L-arabinoside

There total 1 articles about Oleanolic acid 3-O-beta-D-glucosyl-(1->3)-alpha-L-rhamnosyl(1->2)-alpha-L-arabinoside 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: 75.0%

C86H102O22 → oleanolic acid 3-O-[β-deglucopyranosyl-(1→3)-α-L-rhamnopyranosyl-(1→2)]-α-L-arabinopyranoside (103956-33-8)

Guidance literature:

C₈₆H₁₀₂O₂₂; With palladium 10% on activated carbon; hydrogen; In methanol; dichloromethane;

With sodium methylate; In methanol; dichloromethane; at 20 ℃; for 4h;

DOI:10.1016/j.carres.2017.02.010

Refernces