Structure Database (LMSD)
Common Name
Zeaxanthin dimethyl ether
Systematic Name
3,3'-Dimethoxy-β,β-carotene
Synonyms
3D model of Zeaxanthin dimethyl ether
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BEKXYCLKRAXDOV-HOEKICHESA-N
InChi (Click to copy)
InChI=1S/C42H60O2/c1-31(19-15-21-33(3)23-25-39-35(5)27-37(43-11)29-41(39,7)8)17-13-14-18-32(2)20-16-22-34(4)24-26-40-36(6)28-38(44-12)30-42(40,9)10/h13-26,37-38H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)CC(OC)CC2(C)C)=C(C)CC1OC
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Methyläther von Carotinoiden. Konfiguration des Azafrins,
Helv Chim Acta, 1965
Helv Chim Acta, 1965
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
2
Aromatic Rings
Rotatable Bonds
12
Van der Waals Molecular Volume
698.98
Topological Polar Surface Area
18.46
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
12.43
Molar Refractivity
194.78
Admin
Created at
17th Nov 2021
Updated at
2nd Dec 2021