Structure Database (LMSD)
Common Name
19'-Hexanoyloxyfucoxanthinol
Systematic Name
Synonyms
3D model of 19'-Hexanoyloxyfucoxanthinol
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)
SRNKKOVWBXYHTK-LJEZUSKISA-N
InChi (Click to copy)
InChI=1S/C46H66O7/c1-11-12-13-24-41(50)52-32-36(25-26-40-42(5,6)27-37(47)29-44(40,9)51)23-17-21-34(3)19-15-14-18-33(2)20-16-22-35(4)39(49)31-46-43(7,8)28-38(48)30-45(46,10)53-46/h14-23,25,37-38,47-48,51H,11-13,24,27-32H2,1-10H3/b15-14+,20-16+,21-17+,33-18+,34-19+,35-22+,36-23-/t26?,37-,38-,44+,45+,46-/m0/s1
SMILES (Click to copy)
[C@@]12(CC(=O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\COC(CCCCC)=O)/C=C=C3[C@@](O)(C)C[C@@H](O)CC3(C)C)O[C@]1(C)C[C@@H](O)CC2(C)C
References
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
3
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
799.77
Topological Polar Surface Area
116.59
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
10.94
Molar Refractivity
217.03
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Created at
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Updated at
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