Darutigenol

Base Information

• Chemical Name: Darutigenol
• CAS No.: 5940-00-1
• Molecular Formula: C₂₀H₃₄O₃
• Molecular Weight: 322.488
• UNII: XTZ5NBR55T
• Nikkaji Number: J14.115A
• Wikidata: Q104399336
• Metabolomics Workbench ID: 121338
• ChEMBL ID: CHEMBL1076911
• Mol file: 5940-00-1.mol

Synonyms:darutigenol

Chemical Property of Darutigenol

Chemical Property:

• Vapor Pressure: 4.29E-13mmHg at 25°C
• Boiling Point: 572 °C at 760 mmHg
• Flash Point: 299.8 °C
• PSA: 60.69000
• Density: 1.406 g/cm³
• LogP: 3.27950
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 322.25079494
• Heavy Atom Count: 23
• Complexity: 497

Purity/Quality:

99% ^*data from raw suppliers

Darutigenol >98%,StandardReferencesGrade ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC3=CC(CCC3C2(CCC1O)C)(C)C(CO)O)C
• Isomeric SMILES: C[C@@]1(CC[C@@H]2C(=C1)CC[C@H]3[C@]2(CC[C@H](C3(C)C)O)C)[C@H](CO)O

Technology Process of Darutigenol

There total 3 articles about Darutigenol 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:

darutoside → darutigenol (5940-00-1)

Guidance literature:

With β-cellulase; water; at 37 ℃; for 48h; Enzymatic reaction;

DOI:10.1021/np060515p

Reference yield:

→ Darutigenol (5940-00-1,107744-72-9)

Guidance literature:

With sodium acetate;

Reference yield:

→ Darutigenol (5940-00-1,107744-72-9)

Guidance literature:

Darcitoxid 2, β-D-Glucosidase;

DOI:10.1016/0031-9422(79)80045-X

Refernces