(2S,7S,8S)-sarcophytoxide

Base Information

• Chemical Name: (2S,7S,8S)-sarcophytoxide
• CAS No.: 70748-49-1
• Molecular Formula: C20H30O2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID901019540
• Nikkaji Number: J1.297.590B
• Wikidata: Q105196789
• Metabolomics Workbench ID: 168096
• ChEMBL ID: CHEMBL515061
• Mol file: 70748-49-1.mol

Synonyms:sarcophytoxide

Chemical Property of (2S,7S,8S)-sarcophytoxide

Chemical Property:

• Vapor Pressure: 1.27E-06mmHg at 25°C
• Boiling Point: 412°C at 760 mmHg
• Flash Point: 225.9°C
• PSA: 21.76000
• Density: 1.02g/cm³
• LogP: 5.10600
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 302.224580195
• Heavy Atom Count: 22
• Complexity: 526

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCC2(C(O2)CCC(=CC3C(=C(CO3)C)CC1)C)C
• Isomeric SMILES: C/C/1=C\CC[C@]2([C@@H](O2)CC/C(=C/[C@H]3C(=C(CO3)C)CC1)/C)C

Technology Process of (2S,7S,8S)-sarcophytoxide

There total 5 articles about (2S,7S,8S)-sarcophytoxide 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: 100.0%

C20H31ClO2 (1042909-28-3) → (2S,7S,8S)-sarcophytoxide (65817-46-1,65877-32-9,69853-45-8,70748-49-1,84984-71-4,111900-27-7,111900-28-8,74841-41-1)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃;

DOI:10.1246/bcsj.81.562

Reference yield: 100.0%

C20H31ClO2 (1042909-29-4) → (2S,7S,8S)-sarcophytoxide (65817-46-1,65877-32-9,69853-45-8,70748-49-1,84984-71-4,111900-27-7,111900-28-8,74841-41-1)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃;

DOI:10.1246/bcsj.81.562

Reference yield:

C20H32O3 (1043616-74-5) → (2S,7S,8S)-sarcophytoxide (65817-46-1,65877-32-9,69853-45-8,70748-49-1,84984-71-4,111900-27-7,111900-28-8,74841-41-1)

Guidance literature:

C₂₀H₃₂O₃; With methanesulfonyl chloride; triethylamine; In dichloromethane;

With potassium carbonate; In methanol;

DOI:10.1246/bcsj.81.562

upstream raw materials:

C₂₀H₃₂O₃

C₂₀H₃₁ClO₂

C₂₀H₃₁ClO₂

(-)-sarcophytonin A

Downstream raw materials:

(2E,11E)-(6S,8S)-3,8,12,16-Tetramethyl-7,18-dioxa-tricyclo[13.3.0.0^6,8]octadeca-1⁽¹⁵⁾,2,11,16-tetraene

Sarcophine

(1E,11E)-(6S,8S)-3-Hydroxy-3,8,12,16-tetramethyl-7,18-dioxa-tricyclo[13.3.0.0^6,8]octadeca-1,11,15-trien-17-one

(1E,11E)-(6S,8S)-3-Hydroperoxy-3,8,12,16-tetramethyl-7,18-dioxa-tricyclo[13.3.0.0^6,8]octadeca-1,11,15-trien-17-one