Structure Database (LMSD)
Common Name
Anhydroeschscholtzxanthin
Systematic Name
Synonyms
3D model of Anhydroeschscholtzxanthin
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)
PWZXLDMNUZDPKS-VDISQYCASA-N
InChi (Click to copy)
InChI=1S/C40H50/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-30H,1-10H3/b17-11+,18-12+,21-13+,22-14+,31-19+,32-20+,33-25+,34-26+,37-27+,38-28+
SMILES (Click to copy)
C1=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)(C)C=CC=C\2C)/C(C)(C)C=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
2
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
638.88
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
11.93
Molar Refractivity
181.11
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Created at
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Updated at
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