Bakkenolide A

Base Information

Chemical Name:Bakkenolide A
CAS No.:19906-72-0
Deprecated CAS:19903-64-1
Molecular Formula:C₁₅H₂₂O₂
Molecular Weight:234.338
Hs Code.:
UNII:T86ZPP5FMQ
DSSTox Substance ID:DTXSID20173684
Nikkaji Number:J16.122E
Wikidata:Q27105910
Metabolomics Workbench ID:69173
Mol file:19906-72-0.mol

Synonyms:bakkenolide A

Suppliers and Price of Bakkenolide 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

Usbiological
Bakkenolide A
10mg
$ 410.00

DC Chemicals
BakkenolideA >98%,StandardReferencesGrade
20 mg
$ 280.00

Biorbyt Ltd
Bakkenolide A >98%,Standard References Grade
20 mg
$ 569.50

Arctom
BakkenolideA ≥98%
20mg
$ 198.00

Arctom
Bakkenolide ≥98%
10mg
$ 150.00

American Custom Chemicals Corporation
BAKKENOLIDE 95.00%
5MG
$ 496.09

Total 31 raw suppliers

Chemical Property of Bakkenolide A

Chemical Property:

Vapor Pressure:2.18E-05mmHg at 25°C
Melting Point:80-81℃
Boiling Point:360.7°Cat760mmHg
Flash Point:150.7°C
PSA：26.30000
Density:1.06g/cm³
LogP:3.32210
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:234.161979940
Heavy Atom Count:17
Complexity:386

Purity/Quality:

99% ^*data from raw suppliers

Bakkenolide A ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1CCCC2C1(CC3(C2)C(=C)COC3=O)C
Isomeric SMILES:C[C@H]1CCC[C@H]2[C@@]1(C[C@]3(C2)C(=C)COC3=O)C

Technology Process of Bakkenolide A

There total 70 articles about Bakkenolide 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: 58.0%

: (+/-)-methyl (2R,3aR,4S,7aR)-2-isopropenyl-3a,4-dimethyloctahydro-1H-indene-2-carboxylate

: 19906-72-0,52691-12-0,66182-35-2,98540-14-8
(+/-)-bakkenolide A

Guidance literature:: (+/-)-methyl (2R,3aR,4S,7aR)-2-isopropenyl-3a,4-dimethyloctahydro-1H-indene-2-carboxylate; With selenium(IV) oxide; In water; acetic acid; for 3h; Heating;

With sodium tetrahydroborate; In methanol;
DOI:10.1021/ol048726d