Structure Database (LMSD)
Common Name
Chinensen E
Systematic Name
ethyl ''-(2,5-dihydroxy-3-geranylgeranyl phenyl)acetate
Synonyms
3D model of Chinensen E
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)
MGVSDMDTFSABJY-HBKYZHKXSA-N
InChi (Click to copy)
InChI=1S/C30H44O4/c1-7-34-29(32)21-27-20-28(31)19-26(30(27)33)18-17-25(6)16-10-15-24(5)14-9-13-23(4)12-8-11-22(2)3/h11,13,15,17,19-20,31,33H,7-10,12,14,16,18,21H2,1-6H3/b23-13+,24-15+,25-17+
SMILES (Click to copy)
C(/C(/C)=C/CC1=C(O)C(CC(=O)OCC)=CC(O)=C1)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
1
Aromatic Rings
1
Rotatable Bonds
15
Van der Waals Molecular Volume
518.34
Topological Polar Surface Area
66.76
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
8.18
Molar Refractivity
142.71
Admin
Created at
21st Dec 2022
Updated at
21st Dec 2022