Pulsatilla saponin D

Base Information

• Chemical Name: Pulsatilla saponin D
• CAS No.: 68027-15-6
• Molecular Formula: C47H76O17
• Molecular Weight: 913.11
• ChEMBL ID: CHEMBL479310
• DSSTox Substance ID: DTXSID901315269
• Nikkaji Number: J868.202J
• Wikidata: Q27135421
• Mol file: 68027-15-6.mol

Synonyms:Pulsatilla saponin D;SB365 compound

Chemical Property of Pulsatilla saponin D

Chemical Property:

• Melting Point: 239-241℃
• Boiling Point: 997.6±65.0 °C(Predicted)
• PKA: 4.63±0.70(Predicted)
• PSA: 274.75000
• Density: 1.40±0.1 g/cm3 (20 oC 760 Torr)
• LogP: 1.34530
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Methanol (Slightly), Pyridine
• XLogP3: 2
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 9
• Exact Mass: 912.50825095
• Heavy Atom Count: 64
• Complexity: 1750

Purity/Quality:

≥98% ^*data from raw suppliers

PulsatillaSaponinD(90%) ^*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)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)OC8C(C(C(C(O8)CO)O)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]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)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[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O
• Description: Pulsatilla saponin D is an oleanane-type saponin that has been found in P. koreana and has anticancer activity. It is cytotoxic to A549, SKOV3, SK-MEL-2, and HCT15 cells (EC50s = 11.25, 13.17, 3.04, and 11.86 μM, respectively). Pulsatilla saponin D (6 mg/kg per day) reduces tumor volume in a murine Lewis lung carcinoma model.
• Uses: Pulsatilla Saponin D shows antiangiogenic and antitumor activity.

Technology Process of Pulsatilla saponin D

There total 1 articles about Pulsatilla saponin D 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:

→ hederagenin 3-O-a-L-rhamnopyranosyl-(1/2)-[b-D-glucopyranosyl-(1/4)]-a-Larabinopyranoside (68027-15-6)

Guidance literature:

Dihydrat C47H76O17*2H2O: aus Saponin III, KOH /CH3OH;

DOI:10.1248/cpb.26.1666

Reference yield: 72.0%

hederagenin 3-O-a-L-rhamnopyranosyl-(1/2)-[b-D-glucopyranosyl-(1/4)]-a-Larabinopyranoside (68027-15-6) + 1-bromo-2-methyl-butane (10422-35-2,99032-67-4,534-00-9,5973-11-5) → C52H86O17

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃; for 12h;

DOI:10.3389/fphar.2019.01208