(+)-Zerumin A

Base Information

Chemical Name:(+)-Zerumin A
CAS No.:176050-48-9
Molecular Formula:C₂₀H₃₀O₃
Molecular Weight:318.456
Hs Code.:
DSSTox Substance ID:DTXSID501317594
Nikkaji Number:J725.969G
Wikidata:Q105370273
Metabolomics Workbench ID:135799
ChEMBL ID:CHEMBL459193

Synonyms:(+)-Zerumin A;CHEMBL459193;DTXSID501317594

Suppliers and Price of (+)-Zerumin 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

Arctom
ZeruminA ≥98%
5mg
$ 418.00

Total 3 raw suppliers

Chemical Property of (+)-Zerumin A

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:318.21949481
Heavy Atom Count:23
Complexity:529

Purity/Quality:

≥98% （HPLC） ^*data from raw suppliers

ZeruminA ≥98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(CCCC2(C1CCC(=C)C2CC=C(CC(=O)O)C=O)C)C
Isomeric SMILES:C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2C/C=C(\CC(=O)O)/C=O)(C)C

Technology Process of (+)-Zerumin A

There total 2 articles about (+)-Zerumin 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: 71.0%

: 104263-85-6
(E)-labda-8⁽²⁰⁾,12-diene-15,16-dial

: 176050-48-9
16-oxo-8⁽¹⁷⁾,12(E)-labdadien-15-oic acid

Guidance literature:: With Jones reagent; In acetone; at 20 ℃;
DOI:10.1021/acsmedchemlett.8b00109

Reference yield:

: (E)-labda-8⁽¹⁷⁾,12-diene-15,16-dial

: zerumin A

: 176050-48-9
zerumin A

Guidance literature:: With sodium chlorite; sodium dihydrogenphosphate; 3-Methyl-1-butene; In water; tert-butyl alcohol; at 20 ℃; for 1h;
DOI:10.3390/molecules24224071

Reference yield:

: 176050-48-9
16-oxo-8⁽¹⁷⁾,12(E)-labdadien-15-oic acid

: 83324-51-0
labda-8(17),13(14)-dien-15,16-olide

Guidance literature:: Multi-step reaction with 3 steps

1: sodium tetrahydroborate / methanol / 0 - 20 °C

2: toluene-4-sulfonic acid / dichloromethane / 20 h / 20 °C

3: 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane / 0.5 h / 20 °C

With sodium tetrahydroborate; toluene-4-sulfonic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; In methanol; dichloromethane;