Structure Database (LMSD)
Common Name
4-Ketonostoxanthin
Systematic Name
Synonyms
3D model of 4-Ketonostoxanthin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
XJWXMPXLYUAWJI-XYWIRVJGSA-N
InChi (Click to copy)
InChI=1S/C40H54O5/c1-26(17-13-19-28(3)21-23-32-30(5)25-34(41)37(44)39(32,7)8)15-11-12-16-27(2)18-14-20-29(4)22-24-33-31(6)35(42)36(43)38(45)40(33,9)10/h11-24,34,36-38,41,43-45H,25H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,26-15+,27-16+,28-19+,29-20+/t34-,36+,37+,38+/m1/s1
SMILES (Click to copy)
[C@H]1(CC(=C(/C=C/C(=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C=C/C2=C(C([C@H](O)[C@H](O)C2(C)C)=O)C)\C)/C)C(C)([C@H]1O)C)C)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
45
Rings
2
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
688.11
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
8.81
Molar Refractivity
189.39
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Created at
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Updated at
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