Structure Database (LMSD)
Common Name
Canangalia I
Systematic Name
methyl (2E,6R)-6-hydroxy-3-methyl-6-(2-methyl-5-oxotetrahydrofuran-2-yl) hex-2-enoate
Synonyms
- Juvenile Hormone III
3D model of Canangalia I
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)
MQELFNUJNNKYBA-GEUBPHTKSA-N
InChi (Click to copy)
InChI=1S/C13H20O5/c1-9(8-12(16)17-3)4-5-10(14)13(2)7-6-11(15)18-13/h8,10,14H,4-7H2,1-3H3/b9-8+/t10-,13?/m1/s1
SMILES (Click to copy)
C(/C=C(\C)/CC[C@@H](O)C1(C)CCC(=O)O1)(=O)OC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
1
Aromatic Rings
Rotatable Bonds
6
Van der Waals Molecular Volume
257.13
Topological Polar Surface Area
74.90
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
1.92
Molar Refractivity
65.77
Admin
Created at
10th Feb 2022
Updated at
10th Feb 2022