Structure Database (LMSD)
Common Name
4-Hydroxy-4,4'-diaponeurosporene
Systematic Name
7',8'-Dihydro-4,4'-diapo-psi,psi-caroten-4-ol
Synonyms
3D model of 4-Hydroxy-4,4'-diaponeurosporene
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
Level 4 Class
References
String Representations
InChiKey (Click to copy)
CCBSGQLGLZMKTB-ZVLLIQJTSA-N
InChi (Click to copy)
InChI=1S/C30H42O/c1-25(2)14-10-17-28(5)20-11-18-26(3)15-8-9-16-27(4)19-12-21-29(6)22-13-23-30(7)24-31/h8-9,11-16,18-23,31H,10,17,24H2,1-7H3/b9-8+,18-11+,19-12+,22-13+,26-15+,27-16+,28-20+,29-21+,30-23+
SMILES (Click to copy)
C(/C=C(\C)/CO)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\CC/C=C(\C)/C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
Aromatic Rings
Rotatable Bonds
12
Van der Waals Molecular Volume
509.95
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
8.97
Molar Refractivity
141.59
Admin
Created at
17th Nov 2021
Updated at
18th Nov 2021