Structure Database (LMSD)
Common Name
7,8,7',8'-Tetradehydroastaxanthin
Systematic Name
(3S,3'S)-3,3'-Dihydroxy-7,8,7',8'-tetradehydro-β,β-carotene-4,4'-dione
Synonyms
- Asterinasaure
3D model of 7,8,7',8'-Tetradehydroastaxanthin
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
String Representations
InChiKey (Click to copy)
NNUVZGQKBVLNIO-JKISVVIKSA-N
InChi (Click to copy)
InChI=1S/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-20,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1
SMILES (Click to copy)
C1C(C)(C)C(C#C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C#CC2=C(C)C(=O)[C@@H](O)CC2(C)C)=C(C)C(=O)[C@H]1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
2
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
671.40
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
8.37
Molar Refractivity
183.25
Admin
Created at
-
Updated at
3rd Apr 2025