Structure Database (LMSD)
Common Name
methyl-2R-hydroxy-goshuyic acid
Systematic Name
methyl 2R-hydroxy-5Z,8Z-tetradecadienoate
Synonyms
- SFE15:2
- O
- SFE 1:0/14:2
- O
LM ID
LMFA07100007
Formula
Exact Mass
Calculate m/z
254.188195
Sum Composition
Status
Active
3D model of methyl-2R-hydroxy-goshuyic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
YYDFAHOVAQTTJY-FFFXRQPCSA-N
InChi (Click to copy)
InChI=1S/C15H26O3/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h7-8,10-11,14,16H,3-6,9,12-13H2,1-2H3/b8-7-,11-10-/t14-/m1/s1
SMILES (Click to copy)
C([C@H](O)CC/C=C\C/C=C\CCCCC)(=O)OC
References
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
Aromatic Rings
Rotatable Bonds
11
Van der Waals Molecular Volume
286.51
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.67
Molar Refractivity
74.81
Admin
Created at
3rd Jul 2023
Updated at
3rd Jul 2023