saikosaponin B1

Base Information

• Chemical Name: saikosaponin B1
• CAS No.: 58558-08-0
• Molecular Formula: C42H68O13
• Molecular Weight: 780.994
• Nikkaji Number: J246.208G
• Wikidata: Q105311635
• Metabolomics Workbench ID: 132823
• ChEMBL ID: CHEMBL3613729
• Mol file: 58558-08-0.mol

Synonyms:saikosaponin A;saikosaponin B;saikosaponin B1;saikosaponin B2;saikosaponin B3;saikosaponin B4;saikosaponin C;saikosaponin D;saikosaponin K;saikosaponin L;saikosaponins

Chemical Property of saikosaponin B1

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 235-238 °C
• Refractive Index: 1.619
• Boiling Point: 909.9 °C at 760 mmHg
• PKA: 12.83±0.70(Predicted)
• Flash Point: 504.1 °C
• PSA: 218.99000
• Density: 1.35 g/cm³
• LogP: 1.68060
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 780.46599222
• Heavy Atom Count: 55
• Complexity: 1500

Purity/Quality:

≥98% ^*data from raw suppliers

Saikosaponin B1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC5=C6CC(CCC6(C(CC54C)O)CO)(C)C)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O
• Isomeric SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3C=CC5=C6CC(CC[C@@]6([C@H](C[C@]54C)O)CO)(C)C)C)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O

Technology Process of saikosaponin B1

There total 2 articles about saikosaponin B1 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:

saikosaponin A (20736-09-8) → 3-O-β-D-glucopyranosyl-(1->3)-β-D-fucopyranosyl 3β,16β,23,28-tetrahydroxyolean-9(11),12(13)-diene (99365-19-2) + saikosaponin B1 (58558-08-0)

Guidance literature:

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

DOI:10.1248/cpb.33.3349

Reference yield:

→ Saikosaponin b(1) (58316-41-9,58558-08-0)

Guidance literature:

I, saure Hydrolyse;

Reference yield:

saikosaponin B1 (58558-08-0) → prosaikosaponin D (99365-21-6,103629-72-7)

Guidance literature:

With snail enzyme; In ethanol; at 37 ℃; for 12h;

DOI:10.1248/cpb.33.3349

upstream raw materials:

saikosaponin A

Downstream raw materials:

prosaikosaponin D

3β,16β,23,28-tetrahydroxyolean-11,13(18)-diene