Achilleol A

Base Information

Chemical Name:Achilleol A
CAS No.:125287-06-1
Molecular Formula:C30H50 O
Molecular Weight:426.726
Hs Code.:
NSC Number:710351
Nikkaji Number:J1.097.598K,J2.606.862B
Wikidata:Q104915253
Metabolomics Workbench ID:125929
ChEMBL ID:CHEMBL1977780
Mol file:125287-06-1.mol

Synonyms:Achilleol A;125287-06-1;(1S,3R)-2,2-Dimethyl-4-methylene-3-((3E,7E,11E)-3,8,12,16-tetramethyl-heptadeca-3,7,11,15-tetraenyl)-cyclohexanol;(?)-Achilleol A;NSC710351;CHEMBL1977780;CHEBI:189410;NSC-710351;(1S,3R)-2,2-dimethyl-4-methylene-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohexanol

Suppliers and Price of Achilleol A

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of Achilleol A

Chemical Property:

Vapor Pressure:9.06E-13mmHg at 25°C
Boiling Point:515.2°Cat760mmHg
Flash Point:229.2°C
Density:0.91g/cm³
XLogP3:9.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:12
Exact Mass:426.386166214
Heavy Atom Count:31
Complexity:679

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CCCC(=CCCC(=CCCC=C(C)CCC1C(=C)CCC(C1(C)C)O)C)C)C
Isomeric SMILES:CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC[C@@H]1C(=C)CC[C@@H](C1(C)C)O)/C)/C)C

Technology Process of Achilleol A

There total 11 articles about Achilleol A 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:

: 14050-42-1,54910-48-4,54910-49-5,54910-50-8,55058-26-9,55058-27-0,132199-42-9,138809-21-9,147731-51-9,7200-26-2,54274-53-2,71606-52-5
2,3-Oxidosqualene

: 559-70-6
beta-amyrin

: 125287-06-1
(-)-achilleol A

: camelliol C

Guidance literature:: With Triton X-100; In phosphate buffer; at 23 ℃; for 48h;
DOI:10.1021/ol702399g

Reference yield:

: 14050-42-1,54910-48-4,54910-49-5,54910-50-8,55058-26-9,55058-27-0,132199-42-9,138809-21-9,147731-51-9,7200-26-2,54274-53-2,71606-52-5
2,3-Oxidosqualene

: (13αH)-isomalabarica-14(27),17E,21-trien-3β-ol

: 514-45-4
parkeol

: 79-63-0
tirucallol

: 125287-06-1
(-)-achilleol A

Guidance literature:: With lanosterol synthase mutant SceErg₇ Tyr₅₁₀His; In water; at 20 ℃; for 24h; pH=6.2; Further Variations:; Reagents; Product distribution;
DOI:10.1021/ol052725j

Reference yield:

: 14050-42-1,54910-48-4,54910-49-5,54910-50-8,55058-26-9,55058-27-0,132199-42-9,138809-21-9,147731-51-9,7200-26-2,54274-53-2,71606-52-5
2,3-Oxidosqualene

: 79-63-0
tirucallol

: 125287-06-1
(-)-achilleol A

Guidance literature:: With S_. cerevisiae lanosterol synthase Val₄₅₄Gly mutant; at 20 ℃; pH=6.2; Further Variations:; Reagents; Product distribution; Enzymatic reaction;
DOI:10.1021/ol9912940