Structure Database (LMSD)
Common Name
Phytofluenol
Systematic Name
7,8,11,12,7',8'-Hexahydro-psi,psi-caroten-16-ol
Synonyms
3D model of Phytofluenol
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
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
String Representations
InChiKey (Click to copy)
OOXRSLOSLOFFJR-LONZTZLASA-N
InChi (Click to copy)
InChI=1S/C40H62O/c1-33(2)18-12-21-36(5)24-15-27-37(6)25-13-22-34(3)19-10-11-20-35(4)23-14-26-38(7)28-16-29-39(8)30-17-31-40(9)32-41/h10-11,13,18-20,22,24-26,29,31,41H,12,14-17,21,23,27-28,30,32H2,1-9H3/b11-10+,22-13+,34-19+,35-20+,36-24+,37-25+,38-26+,39-29+,40-31+
SMILES (Click to copy)
C(=C(/C)\CC/C=C(/CO)\C)/CC/C(/C)=C/CC/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
Aromatic Rings
Rotatable Bonds
20
Van der Waals Molecular Volume
682.95
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
12.87
Molar Refractivity
187.76
Admin
Created at
17th Nov 2021
Updated at
22nd Nov 2021