Structure Database (LMSD)
Common Name
Bisdehydro-beta-carotene
Systematic Name
3,4,3',4'-Tetradehydro-β,β-carotene
Synonyms
- Tetradehydro-beta-carotene
3D model of Bisdehydro-beta-carotene
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)
BKZTVLROJALEDI-JLTXGRSLSA-N
InChi (Click to copy)
InChI=1S/C40H52/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/h11-28H,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
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=C/C2=C(C)C=CCC2(C)C)=C(C)C=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
2
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
641.52
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
12.16
Molar Refractivity
181.20
Admin
Created at
-
Updated at
27th Oct 2023