Scleroderolide

Base Information

• Chemical Name: Scleroderolide
• CAS No.: 108354-17-2
• Molecular Formula: C₁₈H₁₆O₆
• Molecular Weight: 328.321
• DSSTox Substance ID: DTXSID50893262
• Metabolomics Workbench ID: 101206
• Nikkaji Number: J985.345F
• Wikidata: Q63409819
• Mol file: 108354-17-2.mol

Synonyms:Scleroderolide;(-)-scleroderolide;108354-17-2;DTXSID50893262;CHEBI:204068;NS00094923;Q63409819;(12S)-6,15-dihydroxy-8,12,13,13-tetramethyl-4,11-dioxatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14)-pentaene-2,3-dione;furo[2',3':5,6]napho[1,8-BC]pyran-5,6-dione,8,9-dihydro-3,7-dihydroxy-1,8,8,9-tetramethyl-,(9S)-

Chemical Property of Scleroderolide

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 328.09468823
• Heavy Atom Count: 24
• Complexity: 586

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C2=C(O1)C3=C4C(=C2O)C(=O)C(=O)OC4=C(C=C3C)O)(C)C
• Isomeric SMILES: C[C@H]1C(C2=C(O1)C3=C4C(=C2O)C(=O)C(=O)OC4=C(C=C3C)O)(C)C

Technology Process of Scleroderolide

There total 1 articles about Scleroderolide 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:

(-)-sclerodione (104855-19-8) → (–)-scleroderolide (108354-17-2) + (-)-sclerodin (104855-18-7)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 5h; Ambient temperature;

Reference yield:

(–)-scleroderolide (108354-17-2) → scleroderolide-α-methoxy-α-trifluoromethyl-α-phenylacetate

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / 4-N,N'-dimethylaminopyridine / 0.5 h / Ambient temperature

2: 4-N,N-dimethylaminopyridine / CH₂Cl₂ / 0.33 h / Ambient temperature

With dmap; In dichloromethane;

upstream raw materials:

(-)-sclerodione