Zedoarondiol

Base Information

• Chemical Name: Zedoarondiol
• CAS No.: 98644-24-7
• Molecular Formula: C₁₅H₂₄O₃
• Molecular Weight: 252.354
• Metabolomics Workbench ID: 47356
• Nikkaji Number: J577.277J
• Wikidata: Q105266769
• Mol file: 98644-24-7.mol

Synonyms:zedoarondiol

Chemical Property of Zedoarondiol

Chemical Property:

• PSA: 57.53000
• LogP: 2.21390
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 252.17254462
• Heavy Atom Count: 18
• Complexity: 408

Purity/Quality:

≥98% ^*data from raw suppliers

Zedoarondiol ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison by ingestion.
• Hazard Codes: A poison
• Safety Statements: A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.:

MSDS Files:

Useful:

• Canonical SMILES: CC(=C1CC2C(CCC2(C)O)C(CC1=O)(C)O)C

Technology Process of Zedoarondiol

There total 7 articles about Zedoarondiol 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:

germacrone (6902-91-6) → isozedoarondiol (68984-97-4,69010-40-8,98644-24-7,116425-34-4,108887-68-9) + dihydrocurcumenone (142717-57-5,142761-21-5) + 1α,4β-dihydroxyeudesm-7(11)-en-8-one (142717-58-6) + (4S,5S)-epoxy-(+)-4,5-dihydrogermacrone (32179-17-2,70680-71-6,92691-35-5)

Guidance literature:

Further byproducts given; biotransformation by suspension cultured cells of Polygonum tinctorium; further cultured cells: Solidago altissima;

DOI:10.1016/S0031-9422(00)94823-4

Reference yield:

germacrone (6902-91-6) → isozedoarondiol (68984-97-4,69010-40-8,98644-24-7,116425-34-4,108887-68-9) + Procurcumenol (69010-39-5,127214-97-5,21698-40-8) + 1α,4β-dihydroxyeudesm-7(11)-en-8-one (142717-58-6) + isozedoarondiol (116425-34-4)

Guidance literature:

biotransformation by suspension cultured cells of Bupleurum falcatum; further cultured cells: Lonicera japonica, Polygonum tictorium, Solidago altissima;

DOI:10.1016/S0031-9422(00)94823-4

Reference yield:

germacrone (6902-91-6) → isozedoarondiol (68984-97-4,69010-40-8,98644-24-7,116425-34-4,108887-68-9) + 1α,4β-dihydroxyeudesm-7(11)-en-8-one (142717-58-6) + (4S,5S)-epoxy-(+)-4,5-dihydrogermacrone (32179-17-2,70680-71-6,92691-35-5) + (E)-(1R,10S)-4-Isopropylidene-1,7-dimethyl-11-oxa-bicyclo[8.1.0]undec-6-en-3-one

Guidance literature:

Further byproducts given; biotransformation by suspension cultured cells of Polygonum tinctorium;

DOI:10.1016/S0031-9422(00)94823-4

upstream raw materials:

germacrone

(4S,5S)-epoxy-(+)-4,5-dihydrogermacrone

Refernces

• 1、 Kuroyanagi,Ueno,Ujiie,Sato. "Structures of sesquiterpenes from Curcuma aromatica SALISB". . p. 53 - 59. Retrieved 2007/10/02.