Structure Database (LMSD)
Common Name
Beta-isorenieratane
Systematic Name
β,phi-Carotene
Synonyms
3D model of Beta-isorenieratane
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)
AMFUQTIHCWTHLE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C40H72/c1-30(18-13-20-32(3)23-27-38-35(6)26-25-34(5)37(38)8)16-11-12-17-31(2)19-14-21-33(4)24-28-39-36(7)22-15-29-40(39,9)10/h25-26,30-33,36,39H,11-24,27-29H2,1-10H3
SMILES (Click to copy)
C1(CCC(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(C)=C(C)C=CC=2C)C(C)CCCC1(C)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
2
Aromatic Rings
1
Rotatable Bonds
19
Van der Waals Molecular Volume
657.02
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
13.23
Molar Refractivity
181.32
Admin
Created at
-
Updated at
22nd Mar 2024