Achillin

Base Information

• Chemical Name: Achillin
• CAS No.: 5181-80-6
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.306
• NSC Number: 156236
• DSSTox Substance ID: DTXSID70974966
• Wikidata: Q104937249
• Metabolomics Workbench ID: 123307
• ChEMBL ID: CHEMBL1322934
• Mol file: 5181-80-6.mol

Synonyms:achillin

Chemical Property of Achillin

Chemical Property:

• Boiling Point: 348°Cat760mmHg
• Flash Point: 161.1°C
• PSA: 43.37000
• Density: 1.04g/cm³
• LogP: 2.41960
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 246.125594432
• Heavy Atom Count: 18
• Complexity: 498

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)C)C

Technology Process of Achillin

There total 7 articles about Achillin 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:

C16H20O7S (113394-01-7) → achillin (5181-80-6,5956-04-7,17946-87-1,81024-40-0)

Guidance literature:

With zinc; In 1,2-dimethoxyethane; for 1.5h; Yield given; Heating;

Reference yield:

1,10-epoxy-8α-hydroxyachillin (61866-57-7,80876-77-3,113472-28-9,137695-13-7) → achillin (5181-80-6,5956-04-7,17946-87-1,81024-40-0)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 24 h / Ambient temperature; 1.) 0 deg C

2: activated zinc / 1,2-dimethoxy-ethane / 1.5 h / Heating

With zinc; In pyridine; 1,2-dimethoxyethane;

Reference yield:

(1S,2S,6S)-9,13-dimethyl-5-methylene-3-oxatricyclo[8.3.0.0(2,6)]trideca-9,12-diene-4,11-dione (36150-07-9) → achillin (5181-80-6,5956-04-7,17946-87-1,81024-40-0) + (1S,2S,5S,6S)-5,9,13-trimethyl-3-oxatricyclo[8.3.0.0(2,6)]trideca-9,12-diene-4,11-dione (17946-87-1,5181-80-6,5956-04-7,81024-40-0)

Guidance literature:

With sodium tetrahydroborate;

DOI:10.1016/j.ejphar.2011.09.033

upstream raw materials:

C₁₆H₂₀O₇S

1,10-epoxy-8α-hydroxyachillin

(1S,2S,6S)-9,13-dimethyl-5-methylene-3-oxatricyclo[8.3.0.0(2,6)]trideca-9,12-diene-4,11-dione

Downstream raw materials:

1α,10α-epoxydesacetoxymatricarin

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