Saikosaponin BK1

Base Information

• Chemical Name: Saikosaponin BK1
• CAS No.: 110352-77-7
• Molecular Formula: C₄₈H₇₈O₁₇
• Molecular Weight: 927.137
• DSSTox Substance ID: DTXSID40331683
• Nikkaji Number: J2.767.656A
• Wikidata: Q27108209
• Mol file: 110352-77-7.mol

Synonyms:Saikosaponin BK1;110352-77-7;(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;C08976;CHEBI:8997;DTXSID40331683;Q27108209

Chemical Property of Saikosaponin BK1

Chemical Property:

• Boiling Point: 1012.1°Cat760mmHg
• Flash Point: 565.9°C
• Density: 1.4g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 9
• Exact Mass: 926.52390102
• Heavy Atom Count: 65
• Complexity: 1790

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CCC4(C(C3(C)C)CCC5(C4C=CC6=C7CC(CCC7(C(CC65C)O)CO)(C)C)C)C)COC8C(C(C(C(O8)CO)O)O)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](O[C@H]([C@@H]([C@H]2O)O)O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4C=CC6=C7CC(CC[C@@]7([C@@H](C[C@]65C)O)CO)(C)C)C)C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O

Technology Process of Saikosaponin BK1

There total 1 articles about Saikosaponin BK1 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:

saikogenin E 3-O-β-D-glucopyranosyl-(1→6)-[α-L-rhamnopyranosyl-(1→4)]-β-D-glucopyranoside → saikosaponin h (91990-63-5,110352-77-7) + saikosaponin i (103629-71-6)

Guidance literature:

With sulfuric acid; In 1,4-dioxane; at 60 ℃; for 1h;

DOI:10.1248/cpb.33.3349