Structure Database (LMSD)
Common Name
Oscillol
Systematic Name
(2R,2'R)-3,4,3',4'-Tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,2,1',2'-tetrol
Synonyms
3D model of Oscillol
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
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Planktothrix rubescens
(#59512)
Cyanophyceae
(#3028117)
Occurrence and chirality of oscillaxanthin,
Phytochemistry, 1980
Phytochemistry, 1980
String Representations
InChiKey (Click to copy)
FREWEFHGNSZGSU-GABTXSFTSA-N
InChi (Click to copy)
InChI=1S/C40H56O4/c1-31(19-13-21-33(3)23-15-25-35(5)27-29-37(41)39(7,8)43)17-11-12-18-32(2)20-14-22-34(4)24-16-26-36(6)28-30-38(42)40(9,10)44/h11-30,37-38,41-44H,1-10H3/b12-11+,19-13+,20-14+,23-15+,24-16+,29-27+,30-28+,31-17+,32-18+,33-21+,34-22+,35-25+,36-26+/t37-,38-/m1/s1
SMILES (Click to copy)
CC(O)(C)[C@H](O)/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)/C=C/C=C(\C)/C=C/[C@@H](O)C(O)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
701.40
Topological Polar Surface Area
80.92
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
4
logP
9.97
Molar Refractivity
193.18
Admin
Created at
-
Updated at
2nd Apr 2025